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Sample records for correlation function method

  1. Time-dependent methods for calculating thermal rate coefficients using flux correlation functions

    NASA Astrophysics Data System (ADS)

    Thachuk, Mark; Schatz, George C.

    1992-11-01

    In this paper we study numerical methods for calculating thermal rate coefficients using flux correlation functions, with the goal of determining optimal methods for producing values with a specified accuracy. In all cases we employ grid based methods for solving the time-dependent Schrödinger equation in one mathematical dimension for a simple barrier potential function. The solutions are used to determine the propagator matrix elements needed to evaluate the flux correlation functions. Within this framework, we examine (1) several time-dependent methods for propagating the wave packets, (2) several procedures for evaluating the action of the Hamiltonian on the wave function, (3) the choice of complex time contours for evaluating the rate coefficient expression, (4) alternatives for estimating the initial short-time evolution of the wave packet (which starts as a δ function), (5) quadrature methods for evaluating the spatial and time integrals appearing in the flux correlation function, and (6) special numerical strategies which can dramatically improve the accuracy of the calculation, particularly at low temperatures. We find that several methods yield rate coefficients accurate to 1% or 0.1% using about the same computational effort. These include (a) split-operator time propagators combined with fast-Fourier-transform evaluations of the wave-function derivatives, and (b) the Chebyshev time propagator combined with either an eleventh-order finite-difference or fifth-order spline evaluation of the wave-function derivatives. These finite-difference and spline methods can also be used competitively with the split-operator approach provided that a Crank-Nicholson approximation is utilized in evaluating the action of the kinetic-energy propagator. It was also found that inaccuracies in estimating the initial short-time behavior of the wave function could limit the effectiveness of the more accurate methods. A multigrid approach based on the split

  2. A bridge-functional-based classical mapping method for predicting the correlation functions of uniform electron gases at finite temperature

    SciTech Connect

    Liu, Yu; Wu, Jianzhong

    2014-02-28

    Efficient and accurate prediction of the correlation functions of uniform electron gases is of great importance for both practical and theoretical applications. This paper presents a bridge-functional-based classical mapping method for calculating the correlation functions of uniform spin-unpolarized electron gases at finite temperature. The bridge functional is formulated by following Rosenfeld's universality ansatz in combination with the modified fundamental measure theory. The theoretical predictions are in good agreement with recent quantum Monte Carlo results but with negligible computational cost, and the accuracy is better than a previous attempt based on the hypernetted-chain approximation. We find that the classical mapping method is most accurate if the effective mass of electrons increases as the density falls.

  3. Correlation functions of the antiferromagnetic Heisenberg model using a modified Lanczos method

    NASA Astrophysics Data System (ADS)

    Gagliano, Eduardo R.; Dagotto, Elbio; Moreo, Adriana; Alcaraz, Francisco C.

    1986-08-01

    Using a modified Lanczos algorithm, we study the correlation functions in the ground state of the one-dimensional antiferromagnetic Heisenberg model. We obtain numerical results for rings up to 24 sites. There are no indications of the anomalous behavior of these correlation functions recently observed in chains with 16 sites. We also present a pedagogical description of the hashing technique which is an efficient algorithm for searching and storage purposes.

  4. A novel method to detect proteins evolving at correlated rates: identifying new functional relationships between coevolving proteins.

    PubMed

    Clark, Nathaniel L; Aquadro, Charles F

    2010-05-01

    Interacting proteins evolve at correlated rates, possibly as the result of evolutionary pressures shared by functional groups and/or coevolution between interacting proteins. This evolutionary signature can be exploited to learn more about protein networks and to infer functional relationships between proteins on a genome-wide scale. Multiple methods have been introduced that detect correlated evolution using amino acid distances. One assumption made by these methods is that the neutral rate of nucleotide substitution is uniform over time; however, this is unlikely and such rate heterogeneity would adversely affect amino acid distance methods. We explored alternative methods that detect correlated rates using protein-coding nucleotide sequences in order to better estimate the rate of nonsynonymous substitution at each branch (d(N)) normalized by the underlying synonymous substitution rate (d(S)). Our novel likelihood method, which was robust to realistic simulation parameters, was tested on Drosophila nuclear pore proteins, which form a complex with well-documented physical interactions. The method revealed significantly correlated evolution between nuclear pore proteins, where members of a stable subcomplex showed stronger correlations compared with those proteins that interact transiently. Furthermore, our likelihood approach was better able to detect correlated evolution among closely related species than previous methods. Hence, these sequence-based methods are a complementary approach for detecting correlated evolution and could be applied genome-wide to provide candidate protein-protein interactions and functional group assignments using just coding sequences.

  5. Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods.

    PubMed

    Banerjee, Shiladitya; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo

    2016-02-01

    The temperature dependence of the rate constants in radiative and nonradiative decays from excited electronic states has been studied using a time-dependent correlation function approach in the framework of the adiabatic representation and the harmonic oscillator approximation. The present work analyzes the vibrational aspect of the processes, which gives rise to the temperature dependence, with the inclusion of mode-mixing, as well as of frequency change effects. The temperature dependence of the rate constants shows a contrasting nature, depending on whether the process has been addressed within the Franck-Condon approximation or beyond it. The calculation of the Duschinsky matrix and the shift vector between the normal modes of the two states can be done in Cartesian and/or internal coordinates, depending on the flexibility of the investigated molecule. A new computational code has been developed to calculate the rates of intersystem crossing, internal conversion, and fluorescence for selected molecules as functions of temperature. PMID:26683207

  6. An Efficient and Reliable Statistical Method for Estimating Functional Connectivity in Large Scale Brain Networks Using Partial Correlation

    PubMed Central

    Wang, Yikai; Kang, Jian; Kemmer, Phebe B.; Guo, Ying

    2016-01-01

    Currently, network-oriented analysis of fMRI data has become an important tool for understanding brain organization and brain networks. Among the range of network modeling methods, partial correlation has shown great promises in accurately detecting true brain network connections. However, the application of partial correlation in investigating brain connectivity, especially in large-scale brain networks, has been limited so far due to the technical challenges in its estimation. In this paper, we propose an efficient and reliable statistical method for estimating partial correlation in large-scale brain network modeling. Our method derives partial correlation based on the precision matrix estimated via Constrained L1-minimization Approach (CLIME), which is a recently developed statistical method that is more efficient and demonstrates better performance than the existing methods. To help select an appropriate tuning parameter for sparsity control in the network estimation, we propose a new Dens-based selection method that provides a more informative and flexible tool to allow the users to select the tuning parameter based on the desired sparsity level. Another appealing feature of the Dens-based method is that it is much faster than the existing methods, which provides an important advantage in neuroimaging applications. Simulation studies show that the Dens-based method demonstrates comparable or better performance with respect to the existing methods in network estimation. We applied the proposed partial correlation method to investigate resting state functional connectivity using rs-fMRI data from the Philadelphia Neurodevelopmental Cohort (PNC) study. Our results show that partial correlation analysis removed considerable between-module marginal connections identified by full correlation analysis, suggesting these connections were likely caused by global effects or common connection to other nodes. Based on partial correlation, we find that the most significant

  7. Estimation of resting-state functional connectivity using random subspace based partial correlation: a novel method for reducing global artifacts.

    PubMed

    Chen, Tianwen; Ryali, Srikanth; Qin, Shaozheng; Menon, Vinod

    2013-11-15

    Intrinsic functional connectivity analysis using resting-state functional magnetic resonance imaging (rsfMRI) has become a powerful tool for examining brain functional organization. Global artifacts such as physiological noise pose a significant problem in estimation of intrinsic functional connectivity. Here we develop and test a novel random subspace method for functional connectivity (RSMFC) that effectively removes global artifacts in rsfMRI data. RSMFC estimates the partial correlation between a seed region and each target brain voxel using multiple subsets of voxels sampled randomly across the whole brain. We evaluated RSMFC on both simulated and experimental rsfMRI data and compared its performance with standard methods that rely on global mean regression (GSReg) which are widely used to remove global artifacts. Using extensive simulations we demonstrate that RSMFC is effective in removing global artifacts in rsfMRI data. Critically, using a novel simulated dataset we demonstrate that, unlike GSReg, RSMFC does not artificially introduce anti-correlations between inherently uncorrelated networks, a result of paramount importance for reliably estimating functional connectivity. Furthermore, we show that the overall sensitivity, specificity and accuracy of RSMFC are superior to GSReg. Analysis of posterior cingulate cortex connectivity in experimental rsfMRI data from 22 healthy adults revealed strong functional connectivity in the default mode network, including more reliable identification of connectivity with left and right medial temporal lobe regions that were missed by GSReg. Notably, compared to GSReg, negative correlations with lateral fronto-parietal regions were significantly weaker in RSMFC. Our results suggest that RSMFC is an effective method for minimizing the effects of global artifacts and artificial negative correlations, while accurately recovering intrinsic functional brain networks.

  8. Kinetic theory of correlated fluids: from dynamic density functional to Lattice Boltzmann methods.

    PubMed

    Marconi, Umberto Marini Bettolo; Melchionna, Simone

    2009-07-01

    Using methods of kinetic theory and liquid state theory we propose a description of the nonequilibrium behavior of molecular fluids, which takes into account their microscopic structure and thermodynamic properties. The present work represents an alternative to the recent dynamic density functional theory, which can only deal with colloidal fluids and is not apt to describe the hydrodynamic behavior of a molecular fluid. The method is based on a suitable modification of the Boltzmann transport equation for the phase space distribution and provides a detailed description of the local structure of the fluid and its transport coefficients. Finally, we propose a practical scheme to solve numerically and efficiently the resulting kinetic equation by employing a discretization procedure analogous to the one used in the Lattice Boltzmann method.

  9. Classical density functional theory and the phase-field crystal method using a rational function to describe the two-body direct correlation function.

    PubMed

    Pisutha-Arnond, N; Chan, V W L; Iyer, M; Gavini, V; Thornton, K

    2013-01-01

    We introduce a new approach to represent a two-body direct correlation function (DCF) in order to alleviate the computational demand of classical density functional theory (CDFT) and enhance the predictive capability of the phase-field crystal (PFC) method. The approach utilizes a rational function fit (RFF) to approximate the two-body DCF in Fourier space. We use the RFF to show that short-wavelength contributions of the two-body DCF play an important role in determining the thermodynamic properties of materials. We further show that using the RFF to empirically parametrize the two-body DCF allows us to obtain the thermodynamic properties of solids and liquids that agree with the results of CDFT simulations with the full two-body DCF without incurring significant computational costs. In addition, the RFF can also be used to improve the representation of the two-body DCF in the PFC method. Last, the RFF allows for a real-space reformulation of the CDFT and PFC method, which enables descriptions of nonperiodic systems and the use of nonuniform and adaptive grids. PMID:23410466

  10. Functional Multiple-Set Canonical Correlation Analysis

    ERIC Educational Resources Information Center

    Hwang, Heungsun; Jung, Kwanghee; Takane, Yoshio; Woodward, Todd S.

    2012-01-01

    We propose functional multiple-set canonical correlation analysis for exploring associations among multiple sets of functions. The proposed method includes functional canonical correlation analysis as a special case when only two sets of functions are considered. As in classical multiple-set canonical correlation analysis, computationally, the…

  11. Stress-energy tensor correlators in N-dimensional hot flat spaces via the generalized zeta-function method

    NASA Astrophysics Data System (ADS)

    Cho, H. T.; Hu, B. L.

    2012-09-01

    We calculate the expectation values of the stress-energy bitensor defined at two different spacetime points x, x‧ of a massless, minimally coupled scalar field with respect to a quantum state at finite temperature T in a flat N-dimensional spacetime by means of the generalized zeta-function method. These correlators, also known as the noise kernels, give the fluctuations of energy and momentum density of a quantum field which are essential for the investigation of the physical effects of negative energy density in certain spacetimes or quantum states. They also act as the sources of the Einstein-Langevin equations in stochastic gravity which one can solve for the dynamics of metric fluctuations as in spacetime foams. In terms of constitutions these correlators are one rung above (in the sense of the correlation—BBGKY or Schwinger-Dyson—hierarchies) the mean (vacuum and thermal expectation) values of the stress-energy tensor which drive the semiclassical Einstein equation in semiclassical gravity. The low- and the high-temperature expansions of these correlators are also given here: at low temperatures, the leading order temperature dependence goes like TN while at high temperatures they have a T2 dependence with the subleading terms exponentially suppressed by e-T. We also discuss the singular behavior of the correlators in the x‧ → x coincident limit as was done before for massless conformal quantum fields. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical in honour of Stuart Dowker’s 75th birthday devoted to ‘Applications of zeta functions and other spectral functions in mathematics and physics’.

  12. Iterative method for generating correlated binary sequences

    NASA Astrophysics Data System (ADS)

    Usatenko, O. V.; Melnik, S. S.; Apostolov, S. S.; Makarov, N. M.; Krokhin, A. A.

    2014-11-01

    We propose an efficient iterative method for generating random correlated binary sequences with a prescribed correlation function. The method is based on consecutive linear modulations of an initially uncorrelated sequence into a correlated one. Each step of modulation increases the correlations until the desired level has been reached. The robustness and efficiency of the proposed algorithm are tested by generating sequences with inverse power-law correlations. The substantial increase in the strength of correlation in the iterative method with respect to single-step filtering generation is shown for all studied correlation functions. Our results can be used for design of disordered superlattices, waveguides, and surfaces with selective transport properties.

  13. A comparison of analysis of variance and correlation methods for investigating cognitive development with functional magnetic resonance imaging.

    PubMed

    Fair, Damien A; Brown, Timothy T; Petersen, Steven E; Schlaggar, Bradley L

    2006-01-01

    Statistical approaches used in functional magnetic resonance imaging (fMRI) to study cognitive development are varied and evolving. Two approaches have generally been used. These are between-group end-point analysis of variance (ANOVA) and age-related regression. Differences in these 2 approaches could produce different results when applied to a single data set. Event-related fMRI data from a group of typically developing participants (n = 95; age range = 7-35 years) performing controlled lexical processing tasks were analyzed using both methods. Results from the 2 approaches showed significant overlap, but also noteworthy differences. The results suggest that for regions showing age-related changes, correlation was relatively more sensitive to more linear changes whereas ANOVA was relatively more sensitive to less-linear changes. These findings suggest that full characterization of developmental dynamics will require converging methodologies.

  14. Development and Application of Explicitly Correlated Wave Function Based Methods for the Investigation of Optical Properties of Semiconductor Nanomaterials

    NASA Astrophysics Data System (ADS)

    Elward, Jennifer Mary

    Semiconductor nanoparticles, or quantum dots (QDs), are well known to have very unique optical and electronic properties. These properties can be controlled and tailored as a function of several influential factors, including but not limited to the particle size and shape, effect of composition and heterojunction as well as the effect of ligand on the particle surface. This customizable nature leads to extensive experimental and theoretical research on the capabilities of these quantum dots for many application purposes. However, in order to be able to understand and thus further the development of these materials, one must first understand the fundamental interaction within these nanoparticles. In this thesis, I have developed a theoretical method which is called electron-hole explicitly correlated Hartee-Fock (eh-XCHF). It is a variational method for solving the electron-hole Schrodinger equation and has been used in this work to study electron-hole interaction in semiconductor quantum dots. The method was benchmarked with respect to a parabolic quantum dot system, and ground state energy and electron-hole recombination probability were computed. Both of these properties were found to be in good agreement with expected results. Upon successful benchmarking, I have applied the eh-XCHF method to study optical properties of several quantum dot systems including the effect of dot size on exciton binding energy and recombination probability in a CdSe quantum dot, the effect of shape on a CdSe quantum dot, the effect of heterojunction on a CdSe/ZnS quantum dot and the effect of quantum dot-biomolecule interaction within a CdSe-firefly Luciferase protein conjugate system. As metrics for assessing the effect of these influencers on the electron-hole interaction, the exciton binding energy, electron-hole recombination probability and the average electron-hole separation distance have been computed. These excitonic properties have been found to be strongly infuenced by the

  15. Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.

    PubMed

    Basire, Marie; Borgis, Daniel; Vuilleumier, Rodolphe

    2013-08-14

    Langevin dynamics coupled to a quantum thermal bath (QTB) allows for the inclusion of vibrational quantum effects in molecular dynamics simulations at virtually no additional computer cost. We investigate here the ability of the QTB method to reproduce the quantum Wigner distribution of a variety of model potentials, designed to assess the performances and limits of the method. We further compute the infrared spectrum of a multidimensional model of proton transfer in the gas phase and in solution, using classical trajectories sampled initially from the Wigner distribution. It is shown that for this type of system involving large anharmonicities and strong nonlinear coupling to the environment, the quantum thermal bath is able to sample the Wigner distribution satisfactorily and to account for both zero point energy and tunneling effects. It leads to quantum time correlation functions having the correct short-time behavior, and the correct associated spectral frequencies, but that are slightly too overdamped. This is attributed to the classical propagation approximation rather than the generation of the quantized initial conditions themselves.

  16. Correlation method of electrocardiogram analysis

    NASA Astrophysics Data System (ADS)

    Strinadko, Marina M.; Timochko, Katerina B.

    2002-02-01

    The electrocardiograph method is the informational source for functional heart state characteristics. The electrocardiogram parameters are the integrated map of many component characteristics of the heart system and depend on disturbance requirements of each device. In the research work the attempt of making the skeleton diagram of perturbation of the heart system is made by the characteristic description of its basic components and connections between them through transition functions, which are written down by the differential equations of the first and second order with the purpose to build-up and analyze electrocardiogram. Noting the vector character of perturbation and the various position of heart in each organism, we offer own coordinate system connected with heart. The comparative analysis of electrocardiogram was conducted with the usage of correlation method.

  17. Correlation functions along a massless flow

    SciTech Connect

    Delfino, G.; Mussardo, G.; Simonetti, P.

    1995-06-15

    A nonperturbative method based on the form factor bootstrap approach is proposed for the analysis of correlation functions of two-dimensional massless integrable theories and applied to the massless flow between the tricritical Ising and the critical Ising models.

  18. Electron correlation and dimerization in trans-polyacetylene: Many-body perturbation theory versus density-functional methods

    NASA Astrophysics Data System (ADS)

    Suhai, Sándor

    1995-06-01

    Structural and energetic aspects of the Peierls-type lattice dimerization were investigated in infinite, one-dimensional, periodic trans-polyacetylene (t-PA) using many-body perturbation theory (MBPT) and density-functional theory (DFT). Cohesive properties and dimerization parameters were obtained first for the classical Coulomb potential in the Hartree approximation and then by gradually turning on exchange and correlation potentials. Besides the nonlocal Hartree-Fock exchange, several other exchange functionals were used incorporating gradient corrections as well. For MBPT, electron correlation was included up to the fourth order of the Mo/ller-Plesset scheme and the behavior of lattice sums for different PT terms was analyzed in detail. The electrostatic part of the infinite lattice sums was computed by the multipole expansion technique. In solving the polymer Kohn-Sham equations, the performance of several different correlation potentials was studied again including different gradient corrections. Atomic basis sets of systematically increasing size, in the range of double-zeta to triple-zeta (TZ) up to TZ (3df,3p2d), were used in all calculations to construct the symmetry-adapted (Bloch-type) polymer wave functions, to fully optimize the structures, and to extrapolate different physical quantities to the limit of a hypothetical infinite basis set. Comparison of the different DFT results with MBPT and with experiments demonstrated the importance of gradient terms both for exchange and correlation. On the other hand, the best DFT functional, using a medium-size atomic basis set, excellently reproduced the cohesive and dimerization energies obtained for infinite t-PA at the MP4/TZ(3d2f,3p2d) level and provided dimerization parameters close to experiment. The experimentally observed lattice spacing of 2.46+/-0.01 Å will be correctly predicted both at the MBPT and DFT levels with 2.48 and 2.44 Å, respectively.

  19. Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method

    SciTech Connect

    Grabowski, Ireneusz Śmiga, Szymon; Buksztel, Adam; Fabiano, Eduardo; Teale, Andrew M.; Sala, Fabio Della

    2014-07-14

    The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analysed. The relative importance of singly- and doubly- excited contributions as well as the effect of scaling the same- and opposite- spin components is investigated in detail comparing OEP results with Kohn–Sham (KS) quantities determined via an inversion procedure using accurate ab initio electronic densities. Special attention is dedicated in particular to the recently proposed scaled-opposite–spin OEP functional [I. Grabowski, E. Fabiano, and F. Della Sala, Phys. Rev. B 87, 075103 (2013)] which is the most advantageous from a computational point of view. We find that for high accuracy, a careful, system dependent, selection of the scaling coefficient is required. We analyse several size-extensive approaches for this selection. Finally, we find that a composite approach, named OEP2-SOSh, based on a post-SCF rescaling of the correlation energy can yield high accuracy for many properties, being comparable with the most accurate OEP procedures previously reported in the literature but at substantially reduced computational effort.

  20. Pair correlation function integrals: Computation and use

    NASA Astrophysics Data System (ADS)

    Wedberg, Rasmus; O'Connell, John P.; Peters, Günther H.; Abildskov, Jens

    2011-08-01

    We describe a method for extending radial distribution functions obtained from molecular simulations of pure and mixed molecular fluids to arbitrary distances. The method allows total correlation function integrals to be reliably calculated from simulations of relatively small systems. The long-distance behavior of radial distribution functions is determined by requiring that the corresponding direct correlation functions follow certain approximations at long distances. We have briefly described the method and tested its performance in previous communications [R. Wedberg, J. P. O'Connell, G. H. Peters, and J. Abildskov, Mol. Simul. 36, 1243 (2010);, 10.1080/08927020903536366 Fluid Phase Equilib. 302, 32 (2011)], 10.1016/j.fluid.2010.10.004, but describe here its theoretical basis more thoroughly and derive long-distance approximations for the direct correlation functions. We describe the numerical implementation of the method in detail, and report numerical tests complementing previous results. Pure molecular fluids are here studied in the isothermal-isobaric ensemble with isothermal compressibilities evaluated from the total correlation function integrals and compared with values derived from volume fluctuations. For systems where the radial distribution function has structure beyond the sampling limit imposed by the system size, the integration is more reliable, and usually more accurate, than simple integral truncation.

  1. Pair correlation functions of two- and three-dimensional hard-core fluids confined into narrow pores: exact results from transfer-matrix method.

    PubMed

    Gurin, Péter; Varga, Szabolcs

    2013-12-28

    The effect of confinement is studied on the local structure of two- and three-dimensional hard-core fluids. The hard disks are confined between two parallel lines, while the hard spheres are in a cylindrical hard pore. In both cases only nearest neighbour interactions are allowed between the particles. The vertical and longitudinal pair correlation functions are determined by means of the exact transfer-matrix method. The vertical pair correlation function indicates that the wall induced packing constraint gives rise to a zigzag (up-down sequence) shaped close packing structure in both two- and three-dimensional systems. The longitudinal pair correlation function shows that both systems transform continuously from a one-dimensional gas-like behaviour to a zigzag solid-like structure with increasing density.

  2. Multitime correlation functions in nonclassical stochastic processes

    NASA Astrophysics Data System (ADS)

    Krumm, F.; Sperling, J.; Vogel, W.

    2016-06-01

    A general method is introduced for verifying multitime quantum correlations through the characteristic function of the time-dependent P functional that generalizes the Glauber-Sudarshan P function. Quantum correlation criteria are derived which identify quantum effects for an arbitrary number of points in time. The Magnus expansion is used to visualize the impact of the required time ordering, which becomes crucial in situations when the interaction problem is explicitly time dependent. We show that the latter affects the multi-time-characteristic function and, therefore, the temporal evolution of the nonclassicality. As an example, we apply our technique to an optical parametric process with a frequency mismatch. The resulting two-time-characteristic function yields full insight into the two-time quantum correlation properties of such a system.

  3. Global study of beyond-mean-field correlation energies in covariant energy density functional theory using a collective Hamiltonian method

    NASA Astrophysics Data System (ADS)

    Lu, K. Q.; Li, Z. X.; Li, Z. P.; Yao, J. M.; Meng, J.

    2015-02-01

    We report the first global study of dynamic correlation energies (DCEs) associated with rotational motion and quadrupole shape vibrational motion in a covariant energy density functional (CEDF) for 575 even-even nuclei with proton numbers ranging from Z =8 to Z =108 by solving a five-dimensional collective Hamiltonian, the collective parameters of which are determined from triaxial relativistic mean field plus BCS calculation using the PC-PK1 force. After taking into account these beyond mean-field DCEs, the root-mean-square (rms) deviation with respect to nuclear masses is reduced significantly down to 1.14 MeV, which is smaller than those of other successful CEDFs: NL3* (2.96 MeV), DD-ME2 (2.39 MeV), DD -ME δ (2.29 MeV), and DD-PC1 (2.01 MeV). Moreover, the rms deviation for two-nucleon separation energies is reduced by ˜34 % in comparison with the cranking prescription.

  4. Correlation, functional analysis and optical pattern recognition

    SciTech Connect

    Dickey, F.M.; Lee, M.L.; Stalker, K.T.

    1994-03-01

    Correlation integrals have played a central role in optical pattern recognition. The success of correlation, however, has been limited. What is needed is a mathematical operation more complex than correlation. Suitably complex operations are the functionals defined on the Hilbert space of Lebesgue square integrable functions. Correlation is a linear functional of a parameter. In this paper, we develop a representation of functionals in terms of inner products or equivalently correlation functions. We also discuss the role of functionals in neutral networks. Having established a broad relation of correlation to pattern recognition, we discuss the computation of correlation functions using acousto-optics.

  5. Boundary anomalies and correlation functions

    NASA Astrophysics Data System (ADS)

    Huang, Kuo-Wei

    2016-08-01

    It was shown recently that boundary terms of conformal anomalies recover the universal contribution to the entanglement entropy and also play an important role in the boundary monotonicity theorem of odd-dimensional quantum field theories. Motivated by these results, we investigate relationships between boundary anomalies and the stress tensor correlation functions in conformal field theories. In particular, we focus on how the conformal Ward identity and the renormalization group equation are modified by boundary central charges. Renormalized stress tensors induced by boundary Weyl invariants are also discussed, with examples in spherical and cylindrical geometries.

  6. Ab initio-driven nuclear energy density functional method. A proposal for safe/correlated/improvable parametrizations of the off-diagonal EDF kernels

    NASA Astrophysics Data System (ADS)

    Duguet, T.; Bender, M.; Ebran, J.-P.; Lesinski, T.; Somà, V.

    2015-12-01

    This programmatic paper lays down the possibility to reconcile the necessity to resum many-body correlations into the energy kernel with the fact that safe multi-reference energy density functional (EDF) calculations cannot be achieved whenever the Pauli principle is not enforced, as is for example the case when many-body correlations are parametrized under the form of empirical density dependencies. Our proposal is to exploit a newly developed ab initio many-body formalism to guide the construction of safe, explicitly correlated and systematically improvable parametrizations of the off-diagonal energy and norm kernels that lie at the heart of the nuclear EDF method. The many-body formalism of interest relies on the concepts of symmetry breaking and restoration that have made the fortune of the nuclear EDF method and is, as such, amenable to this guidance. After elaborating on our proposal, we briefly outline the project we plan to execute in the years to come.

  7. Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Suhai, Sándor

    1994-11-01

    Linear equidistant and bond-alternating infinite chains of hydrogen atoms have been investigated by the ab initio crystal-orbital method at the Hartree-Fock (HF) level, by including electron correlation up to the complete fourth order of the Mo/ller-Plesset perturbation theory (MP4-PT), and by using different versions of density-functional theory (DFT). The Bloch functions have been expanded in all cases in a series of high-quality atomic-orbital basis sets and complemented by extended sets of polarization functions up to 6s3p2d1f per H atom. In order to compare the performance of the PT and DFT methods, several physical properties have been computed at all theoretical levels including lattice geometry, cohesive energy, mechanisms of bond alternation (Peierls instability), and energetic features of nonequilibrium configurations (dissociation). For these latter quantities, both spin-restricted (RHF) and unrestricted (UHF) wave functions have been employed in all orders of PT. The methods described have been used parallel to infinite chains and to the H2 molecule, to be able to check their accuracy on experiments. In the case of the DFT, six different functionals (combining Slater and Becke exchange with local and gradient-corrected correlation potentials) have been utilized to test their accuracy in comparison with the MP4 results.

  8. Loops in inflationary correlation functions

    NASA Astrophysics Data System (ADS)

    Tanaka, Takahiro; Urakawa, Yuko

    2013-12-01

    We review the recent progress regarding the loop corrections to the correlation functions in the inflationary universe. A naive perturbation theory predicts that the loop corrections generated during inflation suffer from various infrared (IR) pathologies. Introducing an IR cutoff by hand is neither satisfactory nor enough to fix the problem of a secular growth, which may ruin the predictive power of inflation models if the inflation lasts sufficiently long. We discuss the origin of the IR divergences and explore the regularity conditions of the loop corrections for the adiabatic perturbation, the iso-curvature perturbation, and the tensor perturbation, in turn. These three kinds of perturbations have qualitative differences, but in discussing the IR regularity there is a feature common to all cases, which is the importance of the proper identification of observable quantities. Genuinely, observable quantities should respect the gauge invariance from the view point of a local observer. Interestingly, we find that the requirement of the IR regularity restricts the allowed quantum states.

  9. Speeding up local correlation methods

    SciTech Connect

    Kats, Daniel

    2014-12-28

    We present two techniques that can substantially speed up the local correlation methods. The first one allows one to avoid the expensive transformation of the electron-repulsion integrals from atomic orbitals to virtual space. The second one introduces an algorithm for the residual equations in the local perturbative treatment that, in contrast to the standard scheme, does not require holding the amplitudes or residuals in memory. It is shown that even an interpreter-based implementation of the proposed algorithm in the context of local MP2 method is faster and requires less memory than the highly optimized variants of conventional algorithms.

  10. Correlation functions for glass-forming systems

    PubMed

    Jacobs

    2000-07-01

    We present a simple, linear, partial-differential equation for the density-density correlation function in a glass-forming system. The equation is written down on the basis of fundamental and general considerations of linearity, symmetry, stability, thermodynamic irreversibility and consistency with the equation of continuity (i.e. , conservation of matter). The dynamical properties of the solutions show a change in behavior characteristic of the liquid-glass transition as a function of one of the parameters (temperature). The equation can be shown to lead to the simplest mode-coupling theory of glasses and provides a partial justification of this simplest theory. It provides also a method for calculating the space dependence of the correlation functions not available otherwise. The results suggest certain differences in behavior between glassy solids and glass-forming liquids which may be accessible to experiment. A brief discussion is presented of how the method can be applied to other systems such as sandpiles and vortex glasses in type II superconductors. PMID:11088609

  11. RECONSTRUCTING THE SHAPE OF THE CORRELATION FUNCTION

    SciTech Connect

    Huffenberger, K. M.; Galeazzi, M.; Ursino, E.

    2013-06-01

    We develop an estimator for the correlation function which, in the ensemble average, returns the shape of the correlation function, even for signals that have significant correlations on the scale of the survey region. Our estimator is general and works in any number of dimensions. We develop versions of the estimator for both diffuse and discrete signals. As an application, we apply them to Monte Carlo simulations of X-ray background measurements. These include a realistic, spatially inhomogeneous population of spurious detector events. We discuss applying the estimator to the averaging of correlation functions evaluated on several small fields, and to other cosmological applications.

  12. New Analysis Methods In Photon Correlation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Nash, P. J.; King, T. A.

    1983-06-01

    This paper describes the analysis of photon correlation spectroscopy decay curves by a significant new method based on the fitting of sums of positive exponentials by the S-exponential sum fitting method. The method fits a positive exponential sum to a given data set providing a best weighted least squares fit. No initial setting of any of the parameters is required and the number of exponential coefficients does not have to be preset in the program but is determined by the number of components apparent above the noise level. Results will be discussed for application in scattering systems which may be single or multiple component. Systems generating single, double or multiple exponential decay functions derived from computer simulation or photon correlation exneriments are considered and fitting analysis with varying noise levels.

  13. Detecting correlations among functional-sequence motifs

    NASA Astrophysics Data System (ADS)

    Pirino, Davide; Rigosa, Jacopo; Ledda, Alice; Ferretti, Luca

    2012-06-01

    Sequence motifs are words of nucleotides in DNA with biological functions, e.g., gene regulation. Identification of such words proceeds through rejection of Markov models on the expected motif frequency along the genome. Additional biological information can be extracted from the correlation structure among patterns of motif occurrences. In this paper a log-linear multivariate intensity Poisson model is estimated via expectation maximization on a set of motifs along the genome of E. coli K12. The proposed approach allows for excitatory as well as inhibitory interactions among motifs and between motifs and other genomic features like gene occurrences. Our findings confirm previous stylized facts about such types of interactions and shed new light on genome-maintenance functions of some particular motifs. We expect these methods to be applicable to a wider set of genomic features.

  14. Correlation functions of an autonomous stochastic system with time delays

    NASA Astrophysics Data System (ADS)

    Zhu, Ping; Mei, Dong Cheng

    2014-03-01

    The auto-correlation function and the cross-correlation function of an autonomous stochastic system with time delays are investigated. We obtain the distribution curves of the auto-correlation function Cx(s) and Cy(s), and the cross-correlation function C(s) and C(s) of the stochastic dynamic variables by the stochastic simulation method. The delay time changes prominently the behaviors of the dynamical variables of an autonomous stochastic system, which makes the auto-correlation and the cross-correlation of the autonomous stochastic system alternate oscillate periodically from positive to negative, or from negative to positive, decrease gradually, and finally tends to zero with the decay time. The delay time and the noise strength have important impacts for the auto-correlation and the cross-correlation of the autonomous stochastic delay system. The delay time enhances the auto-correlation and the cross-correlation, on the contrary, the noise strength lowers the auto-correlation and the cross-correlation. Under the time delay, by comparison we further show differences of the auto-correlation and the cross-correlation between the dynamical variables x and y.

  15. On the measurability of quantum correlation functions

    SciTech Connect

    Lima Bernardo, Bertúlio de Azevedo, Sérgio; Rosas, Alexandre

    2015-05-15

    The concept of correlation function is widely used in classical statistical mechanics to characterize how two or more variables depend on each other. In quantum mechanics, on the other hand, there are observables that cannot be measured at the same time; the so-called incompatible observables. This prospect imposes a limitation on the definition of a quantum analog for the correlation function in terms of a sequence of measurements. Here, based on the notion of sequential weak measurements, we circumvent this limitation by introducing a framework to measure general quantum correlation functions, in principle, independently of the state of the system and the operators involved. To illustrate, we propose an experimental configuration to obtain explicitly the quantum correlation function between two Pauli operators, in which the input state is an arbitrary mixed qubit state encoded on the polarization of photons.

  16. On the measurability of quantum correlation functions

    NASA Astrophysics Data System (ADS)

    de Lima Bernardo, Bertúlio; Azevedo, Sérgio; Rosas, Alexandre

    2015-05-01

    The concept of correlation function is widely used in classical statistical mechanics to characterize how two or more variables depend on each other. In quantum mechanics, on the other hand, there are observables that cannot be measured at the same time; the so-called incompatible observables. This prospect imposes a limitation on the definition of a quantum analog for the correlation function in terms of a sequence of measurements. Here, based on the notion of sequential weak measurements, we circumvent this limitation by introducing a framework to measure general quantum correlation functions, in principle, independently of the state of the system and the operators involved. To illustrate, we propose an experimental configuration to obtain explicitly the quantum correlation function between two Pauli operators, in which the input state is an arbitrary mixed qubit state encoded on the polarization of photons.

  17. Problems with the Method of Correlated Vectors

    ERIC Educational Resources Information Center

    Ashton, M.C.; Lee, K.

    2005-01-01

    The method of correlated vectors has been used widely to identify variables that are associated with general intelligence (g). Briefly, this method involves finding the correlation between the vector of intelligence subtests' g-loadings and the vector of those subtests' correlations with the variable in question. We describe two major problems…

  18. Generalized hydrodynamic correlations and fractional memory functions

    NASA Astrophysics Data System (ADS)

    Rodríguez, Rosalio F.; Fujioka, Jorge

    2015-12-01

    A fractional generalized hydrodynamic (GH) model of the longitudinal velocity fluctuations correlation, and its associated memory function, for a complex fluid is analyzed. The adiabatic elimination of fast variables introduces memory effects in the transport equations, and the dynamic of the fluctuations is described by a generalized Langevin equation with long-range noise correlations. These features motivate the introduction of Caputo time fractional derivatives and allows us to calculate analytic expressions for the fractional longitudinal velocity correlation function and its associated memory function. Our analysis eliminates a spurious constant term in the non-fractional memory function found in the non-fractional description. It also produces a significantly slower power-law decay of the memory function in the GH regime that reduces to the well-known exponential decay in the non-fractional Navier-Stokes limit.

  19. Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals.

    PubMed

    Bao, Junwei Lucas; Sand, Andrew; Gagliardi, Laura; Truhlar, Donald G

    2016-09-13

    Predicting the singlet-triplet splittings of divalent radicals is a challenging task for electronic structure theory. In the present work, we investigate the performance of multiconfiguration pair-density functional theory (MC-PDFT) for computing the singlet-triplet splitting for small main-group divalent radicals for which accurate experimental data are available. In order to define theoretical model chemistries that can be assessed consistently, we define three correlated participating orbitals (CPO) schemes (nominal, moderate, and extended, abbreviated as nom, mod, and ext) to define the constitution of complete active spaces, and we test them systematically. Broken-symmetry Kohn-Sham DFT calculations have also been carried out for comparison. We found that the extended CPO-PDFT scheme with translated on-top pair-density functionals have smaller mean unsigned errors than weighted-average broken-symmetry Kohn-Sham DFT with the corresponding exchange-correlation functional. The accuracy of the translated Perdew-Burke-Ernzerhof (tPBE) on-top pair-density functionals with ext-CPO active space is even better than some of the more accurately parametrized exchange-correlation density functionals that we tested; this is very encouraging for MC-PDFT theory. PMID:27438755

  20. Density functional theory for pair correlation functions in polymeric liquids

    NASA Astrophysics Data System (ADS)

    Yethiraj, Arun; Fynewever, Herb; Shew, Chwen-Yang

    2001-03-01

    A density functional theory is presented for the pair correlation functions in polymeric liquids. The theory uses the Yethiraj-Woodward free-energy functional for the polymeric liquid, where the ideal gas free-energy functional is treated exactly and the excess free-energy functional is obtained using a weighted density approximation with the simplest choice of the weighting function. Pair correlation functions are obtained using the Percus trick, where the external field is taken to be a single polymer molecule. The minimization of the free energy in the theory requires a two molecule simulation at each iteration. The theory is very accurate for the pair correlation functions in freely jointed tangent-hard-sphere chains and freely rotating fused-hard-sphere chains, especially at low densities and for long chains. In addition, the theory allows the calculation of the virial pressure in these systems and shows a remarkable degree of consistency between the virial and compressibility pressure.

  1. Triplet correlation functions in liquid water

    SciTech Connect

    Dhabal, Debdas; Chakravarty, Charusita; Singh, Murari; Wikfeldt, Kjartan Thor

    2014-11-07

    Triplet correlations have been shown to play a crucial role in the transformation of simple liquids to anomalous tetrahedral fluids [M. Singh, D. Dhabal, A. H. Nguyen, V. Molinero, and C. Chakravarty, Phys. Rev. Lett. 112, 147801 (2014)]. Here we examine triplet correlation functions for water, arguably the most important tetrahedral liquid, under ambient conditions, using configurational ensembles derived from molecular dynamics (MD) simulations and reverse Monte Carlo (RMC) datasets fitted to experimental scattering data. Four different RMC data sets with widely varying hydrogen-bond topologies fitted to neutron and x-ray scattering data are considered [K. T. Wikfeldt, M. Leetmaa, M. P. Ljungberg, A. Nilsson, and L. G. M. Pettersson, J. Phys. Chem. B 113, 6246 (2009)]. Molecular dynamics simulations are performed for two rigid-body effective pair potentials (SPC/E and TIP4P/2005) and the monatomic water (mW) model. Triplet correlation functions are compared with other structural measures for tetrahedrality, such as the O–O–O angular distribution function and the local tetrahedral order distributions. In contrast to the pair correlation functions, which are identical for all the RMC ensembles, the O–O–O triplet correlation function can discriminate between ensembles with different degrees of tetrahedral network formation with the maximally symmetric, tetrahedral SYM dataset displaying distinct signatures of tetrahedrality similar to those obtained from atomistic simulations of the SPC/E model. Triplet correlations from the RMC datasets conform closely to the Kirkwood superposition approximation, while those from MD simulations show deviations within the first two neighbour shells. The possibilities for experimental estimation of triplet correlations of water and other tetrahedral liquids are discussed.

  2. Triplet correlation functions in liquid water

    NASA Astrophysics Data System (ADS)

    Dhabal, Debdas; Singh, Murari; Wikfeldt, Kjartan Thor; Chakravarty, Charusita

    2014-11-01

    Triplet correlations have been shown to play a crucial role in the transformation of simple liquids to anomalous tetrahedral fluids [M. Singh, D. Dhabal, A. H. Nguyen, V. Molinero, and C. Chakravarty, Phys. Rev. Lett. 112, 147801 (2014)]. Here we examine triplet correlation functions for water, arguably the most important tetrahedral liquid, under ambient conditions, using configurational ensembles derived from molecular dynamics (MD) simulations and reverse Monte Carlo (RMC) datasets fitted to experimental scattering data. Four different RMC data sets with widely varying hydrogen-bond topologies fitted to neutron and x-ray scattering data are considered [K. T. Wikfeldt, M. Leetmaa, M. P. Ljungberg, A. Nilsson, and L. G. M. Pettersson, J. Phys. Chem. B 113, 6246 (2009)]. Molecular dynamics simulations are performed for two rigid-body effective pair potentials (SPC/E and TIP4P/2005) and the monatomic water (mW) model. Triplet correlation functions are compared with other structural measures for tetrahedrality, such as the O-O-O angular distribution function and the local tetrahedral order distributions. In contrast to the pair correlation functions, which are identical for all the RMC ensembles, the O-O-O triplet correlation function can discriminate between ensembles with different degrees of tetrahedral network formation with the maximally symmetric, tetrahedral SYM dataset displaying distinct signatures of tetrahedrality similar to those obtained from atomistic simulations of the SPC/E model. Triplet correlations from the RMC datasets conform closely to the Kirkwood superposition approximation, while those from MD simulations show deviations within the first two neighbour shells. The possibilities for experimental estimation of triplet correlations of water and other tetrahedral liquids are discussed.

  3. Hierarchy of equations of multiple-time correlation functions

    SciTech Connect

    Alonso, Daniel; Vega, Ines de

    2007-05-15

    In this paper we derive the evolution equations for non-Markovian multiple-time correlation functions of an open quantum system without using any approximation. We find that these equations conform an open hierarchy in which N-time correlation functions are dependent on (N+1)-time correlations. This hierarchy of equations is consistently obtained with two different methods: A first one based on Heisenberg equations of system operators, and a second one based on system propagators. The dependency on higher order correlations, and therefore the open hierarchy structure, only disappears in certain particular cases and when some hypothesis or approximations are considered in the equations. In this paper we consider a perturbative approximation and derive the general evolution equation for N-time correlations. This equation turns to depend only on N-time and lower order correlation functions, conforming a closed hierarchy structure that is useful for computational purposes.

  4. Locality of correlation in density functional theory.

    PubMed

    Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

    2016-08-01

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed. PMID:27497544

  5. Locality of correlation in density functional theory

    NASA Astrophysics Data System (ADS)

    Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

    2016-08-01

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

  6. Locality of correlation in density functional theory.

    PubMed

    Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

    2016-08-01

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

  7. Correlation Functions Aid Analyses Of Spectra

    NASA Technical Reports Server (NTRS)

    Beer, Reinhard; Norton, Robert H., Jr.

    1989-01-01

    New uses found for correlation functions in analyses of spectra. In approach combining elements of both pattern-recognition and traditional spectral-analysis techniques, spectral lines identified in data appear useless at first glance because they are dominated by noise. New approach particularly useful in measurement of concentrations of rare species of molecules in atmosphere.

  8. Correlated Strength in the Nuclear Spectral Function

    SciTech Connect

    D. Rohe; C. S. Armstrong; R. Asaturyan; O. K. Baker; S. Bueltmann; C. Carasco; D. Day; R. Ent; H. C. Fenker; K. Garrow; A. Gasparian; P. Gueye; M. Hauger; A. Honegger; J. Jourdan; C. E. Keppel; G. Kubon; R. Lindgren; A. Lung; D. J. Mack; J. H. Mitchell; H. Mkrtchyan; D. Mocelj; K. Normand; T. Petitjean; O. Rondon; E. Segbefia; I. Sick; S. Stepanyan; L. Tang; F. Tiefenbacher; W. F. Vulcan; G. Warren; S. A. Wood; L. Yuan; M. Zeier; H. Zhu; B. Zihlmann

    2004-10-01

    We have carried out an (e,ep) experiment at high momentum transfer and in parallel kinematics to measure the strength of the nuclear spectral function S(k,E) at high nucleon momenta k and large removal energies E. This strength is related to the presence of short-range and tensor correlations, and was known hitherto only indirectly and with considerable uncertainty from the lack of strength in the independent-particle region. This experiment locates by direct measurement the correlated strength predicted by theory.

  9. Correlates of functional capacity among centenarians.

    PubMed

    Martin, Peter; MacDonald, Maurice; Margrett, Jennifer; Siegler, Ilene; Poon, Leonard W; Jazwinski, S M; Green, R C; Gearing, M; Markesbery, W R; Woodard, J L; Johnson, M A; Tenover, J S; Rodgers, W L; Hausman, D B; Rott, C; Davey, A; Arnold, J

    2013-04-01

    This study investigated correlates of functional capacity among participants of the Georgia Centenarian Study. Six domains (demographics and health, positive and negative affect, personality, social and economic support, life events and coping, distal influences) were related to functional capacity for 234 centenarians and near centenarians (i.e., 98 years and older). Data were provided by proxy informants. Domain-specific multiple regression analyses suggested that younger centenarians, those living in the community and rated to be in better health were more likely to have higher functional capacity scores. Higher scores in positive affect, conscientiousness, social provisions, religious coping, and engaged lifestyle were also associated with higher levels of functional capacity. The results suggest that functional capacity levels continue to be associated with age after 100 years of life and that positive affect levels and past lifestyle activities as reported by proxies are salient factors of adaptation in very late life.

  10. Efficient quantum algorithm for computing n-time correlation functions.

    PubMed

    Pedernales, J S; Di Candia, R; Egusquiza, I L; Casanova, J; Solano, E

    2014-07-11

    We propose a method for computing n-time correlation functions of arbitrary spinorial, fermionic, and bosonic operators, consisting of an efficient quantum algorithm that encodes these correlations in an initially added ancillary qubit for probe and control tasks. For spinorial and fermionic systems, the reconstruction of arbitrary n-time correlation functions requires the measurement of two ancilla observables, while for bosonic variables time derivatives of the same observables are needed. Finally, we provide examples applicable to different quantum platforms in the frame of the linear response theory.

  11. Multiple soft limits of cosmological correlation functions

    SciTech Connect

    Joyce, Austin; Khoury, Justin; Simonović, Marko E-mail: jkhoury@sas.upenn.edu

    2015-01-01

    We derive novel identities satisfied by inflationary correlation functions in the limit where two external momenta are taken to be small. We derive these statements in two ways: using background-wave arguments and as Ward identities following from the fixed-time path integral. Interestingly, these identities allow us to constrain some of the O(q{sup 2}) components of the soft limit, in contrast to their single-soft analogues. We provide several nontrivial checks of our identities both in the context of resonant non-Gaussianities and in small sound speed models. Additionally, we extend the relation at lowest order in external momenta to arbitrarily many soft legs, and comment on the many-soft extension at higher orders in the soft momentum. Finally, we consider how higher soft limits lead to identities satisfied by correlation functions in large-scale structure.

  12. A Kinematically Consistent Two-Point Correlation Function

    NASA Technical Reports Server (NTRS)

    Ristorcelli, J. R.

    1998-01-01

    A simple kinematically consistent expression for the longitudinal two-point correlation function related to both the integral length scale and the Taylor microscale is obtained. On the inner scale, in a region of width inversely proportional to the turbulent Reynolds number, the function has the appropriate curvature at the origin. The expression for two-point correlation is related to the nonlinear cascade rate, or dissipation epsilon, a quantity that is carried as part of a typical single-point turbulence closure simulation. Constructing an expression for the two-point correlation whose curvature at the origin is the Taylor microscale incorporates one of the fundamental quantities characterizing turbulence, epsilon, into a model for the two-point correlation function. The integral of the function also gives, as is required, an outer integral length scale of the turbulence independent of viscosity. The proposed expression is obtained by kinematic arguments; the intention is to produce a practically applicable expression in terms of simple elementary functions that allow an analytical evaluation, by asymptotic methods, of diverse functionals relevant to single-point turbulence closures. Using the expression devised an example of the asymptotic method by which functionals of the two-point correlation can be evaluated is given.

  13. Redshift distortions of galaxy correlation functions

    NASA Technical Reports Server (NTRS)

    Fry, J. N.; Gaztanaga, Enrique

    1994-01-01

    To examine how peculiar velocities can affect the two-, three-, and four-point redshift correlation functions, we evaluate volume-average correlations for configurations that emphasize and minimize redshift distortions for four different volume-limited samples from each of the CfA, SSRS, and IRAS redshift catalogs. We present the results as the correlation length r(sub 0) and power index gamma of the two-point correlations, bar-xi(sub 0) = (r(sub 0)/r)(exp gamma), and as the hierarchical amplitudes of the three- and four-point functions, S(sub 3) = bar-xi(sub 3)/bar-xi(exp 2)(sub 2) and S(sub 4) = bar-xi(sub 4)/bar-xi(exp 3)(sub 2). We find a characteristic distortion for bar-xi(sub 2), the slope gamma is flatter and the correlation length is larger in redshift space than in real space; that is, redshift distortions 'move' correlations from small to large scales. At the largest scales (up to 12 Mpc), the extra power in the redshift distribution is compatible with Omega(exp 4/7)/b approximately equal to 1. We estimate Omega(exp 4/7)/b to be 0.53 +/- 0.15, 1.10 +/- 0.16, and 0.84 +/- 0.45 for the CfA, SSRS, and IRAS catalogs. Higher order correlations bar-xi(sub 3) and bar-xi(sub 4) suffer similar redshift distortions but in such a way that, within the accuracy of our ananlysis, the normalized amplitudes S(sub 3) and S(sub 4) are insensitive to this effect. The hierarchical amplitudes S(sub 3) and S(sub 4) are constant as a function of scale between 1 and 12 Mpc and have similar values in all samples and catalogs, S(sub 3) approximately equal to 2 and S(sub 4) approximately equal to 6, despite the fact that bar-xi(sub 2), bar-xi(sub 3), and bar-xi(sub 4) differ from one sample to another by large factors (up to a factor of 4 in bar-xi(sub 2), 8 for bar-xi(sub 3), and 12 for bar-xi(sub 4)). The agreement between the independent estimations of S(sub 3) and S(sub 4) is remarkable given the different criteria in the selection of galaxies and also the difference in the

  14. Correlation functions for describing and reconstructing soil microstructure: the use of directional correlation functions

    NASA Astrophysics Data System (ADS)

    Karsanina, Marina; Gerke, Kirill; Skvortsova, Elena; Mallants, Dirk

    2015-04-01

    Structural features of porous materials define the majority of its physical properties, including water infiltration and redistribution, multi-phase flow (e.g. simultaneous water/air flow, gas exchange between biologically active soil root zone and atmosphere, etc.) and solute transport. To characterize soil microstructure, conventional soil science uses such metrics as pore size and grain-size distributions and thin section-derived morphological indicators. However, these descriptors provide only limited amount of information about the complex arrangement of soil structure and have limited capability to reconstruct structural features or predict physical properties. We introduce three different spatial correlation functions as a comprehensive tool to characterize soil microstructure: (i) two-point probability functions, (ii) linear functions, and (iii) two-point cluster functions. This novel approach was tested on thin-sections (2.21×2.21 cm2) representing eight soils with different pore space configurations. The two-point probability and linear correlation functions were subsequently used as a part of simulated annealing optimization procedures to reconstruct soil structure. Comparison of original and reconstructed images was based on morphological characteristics, cluster correlation functions, total number of pores and pore-size distribution. Results showed excellent agreement for soils with isolated pores, but relatively poor correspondence for soils exhibiting dual-porosity (i.e. superpositions of pores and microcracks). Insufficient information content in the correlation function sets used for reconstruction may have contributed to the observed discrepancies. Improved reconstructions may be obtained by adding cluster and other correlation functions into reconstruction sets. Correlation functions and the associated stochastic reconstruction algorithms introduced here are universally applicable in soil science, including for soil classification, pore

  15. Correlation functions in conformal invariant stochastic processes

    NASA Astrophysics Data System (ADS)

    Alcaraz, Francisco C.; Rittenberg, Vladimir

    2015-11-01

    We consider the problem of correlation functions in the stationary states of one-dimensional stochastic models having conformal invariance. If one considers the space dependence of the correlators, the novel aspect is that although one considers systems with periodic boundary conditions, the observables are described by boundary operators. From our experience with equilibrium problems one would have expected bulk operators. Boundary operators have correlators having critical exponents being half of those of bulk operators. If one studies the space-time dependence of the two-point function, one has to consider one boundary and one bulk operators. The Raise and Peel model has conformal invariance as can be shown in the spin 1/2 basis of the Hamiltonian which gives the time evolution of the system. This is an XXZ quantum chain with twisted boundary condition and local interactions. This Hamiltonian is integrable and the spectrum is known in the finite-size scaling limit. In the stochastic base in which the process is defined, the Hamiltonian is not local anymore. The mapping into an SOS model, helps to define new local operators. As a byproduct some new properties of the SOS model are conjectured. The predictions of conformal invariance are discussed in the new framework and compared with Monte Carlo simulations.

  16. Sum rule of the correlation function

    SciTech Connect

    Maj, Radoslaw; Mrowczynski, Stanislaw

    2005-04-01

    We discuss a sum rule satisfied by the correlation function of two particles with small relative momenta. The sum rule, which results from the completeness condition of the quantum states of two particles, is derived and checked to see how it works in practice. The sum rule is shown to be trivially satisfied by free particle pairs. We then analyze three different systems of interacting particles: neutron and proton pairs in the s-wave approximation, the so-called hard spheres with phase shifts taken into account up to l=4, and finally, the Coulomb system of two charged particles.

  17. Meson's correlation functions in a nuclear medium

    NASA Astrophysics Data System (ADS)

    Park, Chanyong

    2016-09-01

    We investigate meson's spectrum, decay constant and form factor in a nuclear medium through holographic two- and three-point correlation functions. To describe a nuclear medium composed of protons and neutrons, we consider a hard wall model on the thermal charged AdS geometry and show that due to the isospin interaction with a nuclear medium, there exist splittings of the meson's spectrum, decay constant and form factor relying on the isospin charge. In addition, we show that the ρ-meson's form factor describing an interaction with pseudoscalar fluctuation decreases when the nuclear density increases, while the interaction with a longitudinal part of an axial vector meson increases.

  18. Correlation functions in ω-deformed supergravity

    NASA Astrophysics Data System (ADS)

    Borghese, A.; Pang, Y.; Pope, C. N.; Sezgin, E.

    2015-02-01

    Gauged supergravity in four dimensions is now known to admit a deformation characterized by a real parameter ω lying in the interval 0 ≤ ω ≤ π/8. We analyse the fluctuations about its anti-de Sitter vacuum, and show that the full supersymmetry can be maintained by the boundary conditions only for ω = 0. For non-vanishing ω, and requiring that there be no propagating spin s > 1 fields on the boundary, we show that is the maximum degree of supersymmetry that can be preserved by the boundary conditions. We then construct in detail the consistent truncation of the theory to give ω-deformed SO(6) gauged supergravity, again with ω in the range 0 ≤ ω ≤ π/8. We show that this theory admits fully supersymmetry-preserving boundary conditions not only for ω = 0, but also for ω = π/8. These two theories are related by a U(1) electric-magnetic duality. We observe that the only three-point functions that depend on ω involve the coupling of an SO(6) gauge field with the U(1) gauge field and a scalar or pseudo-scalar field. We compute these correlation functions and compare them with those of the undeformed theory. We find that the correlation functions in the ω= π/8 theory holographically correspond to amplitudes in the U( N) k ×U( N)- k ABJM model in which the U(1) Noether current is replaced by a dynamical U(1) gauge field. We also show that the ω-deformed gauged supergravities can be obtained via consistent reductions from the eleven-dimensional or ten-dimensional type IIA supergravities.

  19. Non-Markovian correlation functions for open quantum systems

    NASA Astrophysics Data System (ADS)

    Jin, Jinshuang; Karlewski, Christian; Marthaler, Michael

    2016-08-01

    Beyond the conventional quantum regression theorem, a general formula for non-Markovian correlation functions of arbitrary system operators both in the time- and frequency-domain is given. We approach the problem by transforming the conventional time-non-local master equation into dispersed time-local equations-of-motion. The validity of our approximations is discussed and we find that the non-Markovian terms have to be included for short times. While calculations of the density matrix at short times suffer from the initial value problem, a correlation function has a well defined initial state. The resulting formula for the non-Markovian correlation function has a simple structure and is as convenient in its application as the conventional quantum regression theorem for the Markovian case. For illustrations, we apply our method to investigate the spectrum of the current fluctuations of interacting quantum dots contacted with two electrodes. The corresponding non-Markovian characteristics are demonstrated.

  20. Monte Carlo Studies of Matrix Theory Correlation Functions

    SciTech Connect

    Hanada, Masanori; Nishimura, Jun; Sekino, Yasuhiro; Yoneya, Tamiaki

    2010-04-16

    We study correlation functions in (0+1)-dimensional maximally supersymmetric U(N) gauge theory, which represents the low-energy effective theory of D0-branes. In the large-N limit, the gauge-gravity duality predicts power-law behaviors in the infrared region for the two-point correlation functions of operators corresponding to supergravity modes. We evaluate such correlation functions on the gauge theory side by the Monte Carlo method. Clear power-law behaviors are observed at N=3, and the predicted exponents are confirmed consistently. Our results suggest that the agreement extends to the M-theory regime, where the supergravity analysis in 10 dimensions may not be justified a priori.

  1. Sexual infidelity in a national survey of American women: differences in prevalence and correlates as a function of method of assessment.

    PubMed

    Whisman, Mark A; Snyder, Douglas K

    2007-06-01

    The purposes of this study were (a) to estimate the annual prevalence of, and to identify the predictors of, sexual infidelity in a population-based sample of married women (N = 4,884); and (b) to evaluate whether the prevalence and predictors of infidelity varied as a function of whether the assessment of infidelity was based on a face-to-face interview versus a computer-assisted self-interview. Annual prevalence of infidelity was much smaller on the basis of the face-to-face interview (1.08%) than on the computer-assisted self-interview (6.13%). Although many of the predictor variables replicated results from previous studies (e.g., demographic variables, religiosity, sexual experience), findings also indicated that childhood sexual abuse (i.e., forced sex) predicted greater probability of infidelity. Finally, the magnitude of the association with infidelity for 4 of the 9 predictor variables differed between the 2 methods for assessing infidelity. This study's findings underscore the importance of assessing infidelity with methods such as computer-assisted self-interviews that minimize the influence of social desirability and impression management.

  2. Structure–function correlations in tyrosinases

    PubMed Central

    Kanteev, Margarita; Goldfeder, Mor; Fishman, Ayelet

    2015-01-01

    Tyrosinases are metalloenzymes belonging to the type-3 copper protein family which contain two copper ions in the active site. They are found in various prokaryotes as well as in plants, fungi, arthropods, and mammals and are responsible for pigmentation, wound healing, radiation protection, and primary immune response. Tyrosinases perform two sequential enzymatic reactions: hydroxylation of monophenols and oxidation of diphenols to form quinones which polymerize spontaneously to melanin. Two other members of this family are catechol oxidases, which are prevalent mainly in plants and perform only the second oxidation step, and hemocyanins, which lack enzymatic activity and are oxygen carriers. In the last decade, several structures of plant and bacterial tyrosinases were determined, some with substrates or inhibitors, highlighting features and residues which are important for copper uptake and catalysis. This review summarizes the updated information on structure–function correlations in tyrosinases along with comparison to other type-3 copper proteins. PMID:26104241

  3. Really computing nonperturbative real time correlation functions

    NASA Astrophysics Data System (ADS)

    Bödeker, Dietrich; McLerran, Larry; Smilga, Andrei

    1995-10-01

    It has been argued by Grigoriev and Rubakov that one can simulate real time processes involving baryon number nonconservation at high temperature using real time evolution of classical equations, and summing over initial conditions with a classical thermal weight. It is known that such a naive algorithm is plagued by ultraviolet divergences. In quantum theory the divergences are regularized, but the corresponding graphs involve the contributions from the hard momentum region and also the new scale ~gT comes into play. We propose a modified algorithm which involves solving the classical equations of motion for the effective hard thermal loop Hamiltonian with an ultraviolet cutoff μ>>gT and integrating over initial conditions with a proper thermal weight. Such an algorithm should provide a determination of the infrared behavior of the real time correlation function T determining the baryon violation rate. Hopefully, the results obtained in this modified algorithm will be cutoff independent.

  4. Optimization of an exchange-correlation density functional for water.

    PubMed

    Fritz, Michelle; Fernández-Serra, Marivi; Soler, José M

    2016-06-14

    We describe a method, that we call data projection onto parameter space (DPPS), to optimize an energy functional of the electron density, so that it reproduces a dataset of experimental magnitudes. Our scheme, based on Bayes theorem, constrains the optimized functional not to depart unphysically from existing ab initio functionals. The resulting functional maximizes the probability of being the "correct" parameterization of a given functional form, in the sense of Bayes theory. The application of DPPS to water sheds new light on why density functional theory has performed rather poorly for liquid water, on what improvements are needed, and on the intrinsic limitations of the generalized gradient approximation to electron exchange and correlation. Finally, we present tests of our water-optimized functional, that we call vdW-DF-w, showing that it performs very well for a variety of condensed water systems. PMID:27305990

  5. Local Density Approximation Exchange-correlation Free-energy Functional

    NASA Astrophysics Data System (ADS)

    Karasiev, Valentin; Sjostrom, Travis; Dufty, James; Trickey, S. B.

    2014-03-01

    Restricted path integral Monte-Carlo (RPIMC) simulation data for the homogeneous electron gas at finite temperatures are used to fit the exchange-correlation free energy as a function of the density and temperature. Together with a new finite- T spin-polarization interpolation, this provides the local spin density approximation (LSDA) for the exchange-correlation free-energy functional required by finite- T density functional theory. We discuss and compare different methods of fitting to the RPIMC data. The new function reproduces the RPIMC data in the fitting range of Wigner-Seitz radius and temperature, satisfies correct high-density, low- and high- T asymptotic limits and is applicable beyond the range of fitting data. Work supported by U.S. Dept. of Energy, grant DE-SC0002139 and by the DOE Office of Fusion Sciences (FES).

  6. Modeling the three-point correlation function

    SciTech Connect

    Marin, Felipe; Wechsler, Risa; Frieman, Joshua A.; Nichol, Robert; /Portsmouth U., ICG

    2007-04-01

    We present new theoretical predictions for the galaxy three-point correlation function (3PCF) using high-resolution dissipationless cosmological simulations of a flat {Lambda}CDM Universe which resolve galaxy-size halos and subhalos. We create realistic mock galaxy catalogs by assigning luminosities and colors to dark matter halos and subhalos, and we measure the reduced 3PCF as a function of luminosity and color in both real and redshift space. As galaxy luminosity and color are varied, we find small differences in the amplitude and shape dependence of the reduced 3PCF, at a level qualitatively consistent with recent measurements from the SDSS and 2dFGRS. We confirm that discrepancies between previous 3PCF measurements can be explained in part by differences in binning choices. We explore the degree to which a simple local bias model can fit the simulated 3PCF. The agreement between the model predictions and galaxy 3PCF measurements lends further credence to the straightforward association of galaxies with CDM halos and subhalos.

  7. Understanding GRETINA using angular correlation method

    NASA Astrophysics Data System (ADS)

    Austin, Madeline

    2015-10-01

    The ability to trace the path of gamma rays through germanium is not only necessary for taking full advantage of GRETINA but also a promising possibility for homeland security defense against nuclear threats. This research tested the current tracking algorithm using the angular correlation method by comparing results from raw and tracked data to the theoretical model for Co-60. It was found that the current tracking method is unsuccessful in reproducing angular correlation. Variations to the tracking algorithm were made in the FM value, tracking angle, number of angles of separation observed, and window of coincidence in attempt to improve correlation results. From these variations it was observed that having a larger FM improved results, reducing the number of observational angles worsened correlation, and that overall larger tracking angles improved with larger windows of coincidence and vice-verse. Future research would be to refine the angle of measurement for raw data and to explore the possibility of an energy dependence by testing other elements. This work is supported by the United States Department of Energy, Office of Science, under Contract Number DE-AC02-06CH11357

  8. Enhancing the Reliability of Spectral Correlation Function with Distributed Computing

    NASA Astrophysics Data System (ADS)

    Alfaqawi, M. I.; Chebil, J.; Habaebi, M. H.; Ramli, N.; Mohamad, H.

    2013-12-01

    Various random time series used in signal processing systems are cyclostationary due to the sinusoidal carriers, pulse trains, periodic motion, or physical phenomenon. The cyclostationarity of the signal could be analysed by using the spectral correlation function (SCF). However, SCF is considered high complex due to the 2-D functionality and the required long observation time. The SCF could be computed in various methods however there are two methods used in practice such as FFT accumulation method (FAM) and strip spectral correlation algorithm (SSCA). This paper shows the benefit on the complexity and the reliability due to the workload distribution of one processor over different cooperated processors. The paper found that with increasing the reliability of the SCF, the number of the cooperated processors to achieve the half of the maximum complexity will reduce.

  9. Analysis of spectra using correlation functions

    NASA Technical Reports Server (NTRS)

    Beer, Reinhard; Norton, Robert H.

    1988-01-01

    A novel method is presented for the quantitative analysis of spectra based on the properties of the cross correlation between a real spectrum and either a numerical synthesis or laboratory simulation. A new goodness-of-fit criterion called the heteromorphic coefficient H is proposed that has the property of being zero when a fit is achieved and varying smoothly through zero as the iteration proceeds, providing a powerful tool for automatic or near-automatic analysis. It is also shown that H can be rendered substantially noise-immune, permitting the analysis of very weak spectra well below the apparent noise level and, as a byproduct, providing Doppler shift and radial velocity information with excellent precision. The technique is in regular use in the Atmospheric Trace Molecule Spectroscopy (ATMOS) project and operates in an interactive, realtime computing environment with turn-around times of a few seconds or less.

  10. Baryons in the Field Correlator Method

    SciTech Connect

    Kezerashvili, R. Ya.; Narodetskii, I. M.; Veselov, A. I.

    2009-12-17

    The ground and P-wave excited states of nnn, nns and ssn baryons are studied in the framework of the field correlator method using the running strong coupling constant in the Coulomb-like part of the three-quark potential. The string correction for the confinement potential of the orbitally excited baryons, which is the leading contribution of the proper inertia of the rotating strings, is estimated.

  11. Functional Magnetic Resonance Imaging Methods

    PubMed Central

    Chen, Jingyuan E.; Glover, Gary H.

    2015-01-01

    Since its inception in 1992, Functional Magnetic Resonance Imaging (fMRI) has become an indispensible tool for studying cognition in both the healthy and dysfunctional brain. FMRI monitors changes in the oxygenation of brain tissue resulting from altered metabolism consequent to a task-based evoked neural response or from spontaneous fluctuations in neural activity in the absence of conscious mentation (the “resting state”). Task-based studies have revealed neural correlates of a large number of important cognitive processes, while fMRI studies performed in the resting state have demonstrated brain-wide networks that result from brain regions with synchronized, apparently spontaneous activity. In this article, we review the methods used to acquire and analyze fMRI signals. PMID:26248581

  12. Neuroanatomical correlates of cognitive functioning in prodromal Huntington disease

    PubMed Central

    Harrington, Deborah L; Liu, Dawei; Smith, Megan M; Mills, James A; Long, Jeffrey D; Aylward, Elizabeth H; Paulsen, Jane S

    2014-01-01

    Introduction The brain mechanisms of cognitive impairment in prodromal Huntington disease (prHD) are not well understood. Although striatal atrophy correlates with some cognitive abilities, few studies of prHD have investigated whether cortical gray matter morphometry correlates in a regionally specific manner with functioning in different cognitive domains. This knowledge would inform the selection of cognitive measures for clinical trials that would be most sensitive to the target of a treatment intervention. Method In this study, random forest analysis was used to identify neuroanatomical correlates of functioning in five cognitive domains including attention and information processing speed, working memory, verbal learning and memory, negative emotion recognition, and temporal processing. Participants included 325 prHD individuals with varying levels of disease progression and 119 gene-negative controls with a family history of HD. In intermediate analyses, we identified brain regions that showed significant differences between the prHD and the control groups in cortical thickness and striatal volume. Brain morphometry in these regions was then correlated with cognitive functioning in each of the domains in the prHD group using random forest methods. We hypothesized that different regional patterns of brain morphometry would be associated with performances in distinct cognitive domains. Results The results showed that performances in different cognitive domains that are vulnerable to decline in prHD were correlated with regionally specific patterns of cortical and striatal morphometry. Putamen and/or caudate volumes were top-ranked correlates of performance across all cognitive domains, as was cortical thickness in regions related to the processing demands of each domain. Conclusions The results underscore the importance of identifying structural magnetic resonance imaging (sMRI) markers of functioning in different cognitive domains, as their relative

  13. Time Dependence of Correlation Functions Following a Quantum Quench

    SciTech Connect

    Calabrese, Pasquale; Cardy, John

    2006-04-07

    We show that the time dependence of correlation functions in an extended quantum system in d dimensions, which is prepared in the ground state of some Hamiltonian and then evolves without dissipation according to some other Hamiltonian, may be extracted using methods of boundary critical phenomena in d+1 dimensions. For d=1 particularly powerful results are available using conformal field theory. These are checked against those available from solvable models. They may be explained in terms of a picture, valid more generally, whereby quasiparticles, entangled over regions of the order of the correlation length in the initial state, then propagate classically through the system.

  14. Bringing the cross-correlation method up to date

    NASA Technical Reports Server (NTRS)

    Statler, Thomas

    1995-01-01

    The cross-correlation (XC) method of Tonry & Davis (1979, AJ, 84, 1511) is generalized to arbitrary parametrized line profiles. In the new algorithm the correlation function itself, rather than the observed galaxy spectrum, is fitted by the model line profile: this removes much of the complication in the error analysis caused by template mismatch. Like the Fourier correlation quotient (FCQ) method of Bender (1990, A&A, 229, 441), the inferred line profiles are, up to a normalization constant, independent of template mismatch as long as there are no blended lines. The standard reduced chi(exp 2) is a good measure of the fit of the inferred velocity distribution, largely decoupled from the fit of the spectral template. The updated XC method performs as well as other recently developed methods, with the added virtue of conceptual simplicity.

  15. Correlation between physical function, cognitive function, and health-related quality of life in elderly persons

    PubMed Central

    Kim, DeokJu

    2016-01-01

    [Purpose] This study aimed to assess the quality of life of elderly people related to physical function, cognitive function, and health, and devised methods to enhance their health-related quality of life. [Subjects and Methods] This study was conducted from November 2014 to January 2015 in 140 people over 65 registered at welfare centers. Those with a functional psychological disorder or difficulty communicating were excluded. Data were collected for physical function, cognitive function, and health-related quality of life (HRQOL) using an assessment tool and questionnaire for healthy elderly people over 65. Physical function was measured using muscle strength muscle endurance, reaction time, and balance. [Results] Correlations were observed between cognitive function and endurance, reaction time, and balance. Physical HRQOL showed correlations with all domains of physical function; mental HRQOL showed correlations with all items of physical function except muscle strength. Among factors that influence HRQOL, all items except educational background were significant variables. Educational background had no influence on HRQOL. [Conclusion] Interventions will correct factors with a negative influence on HRQOL, utilizing regular checks on physical, cognitive, and other functions of elderly people, with early detection and intervention to enhance HRQOL. Cognitive intervention related to physical and other functions will be applied. PMID:27390430

  16. Using of Correlating monomineral thermobarometry for mantle peridotites (correlating methods).

    NASA Astrophysics Data System (ADS)

    Ashchepkov, I. V.; Pokhilenko, N. P.; Sobolev, N. V.; Rotman, A. Y.; Afanasiev, V. P.; Logvinova, A. M.; Vladykin, N. V.; Kostrovitsky, S. I.; Karpenko, M. A.; Vishnyakova, E. V.

    2005-12-01

    Correlating monomineral thermobarometry using kimberlite mega- and xenocrysts and xenoliths allows to determine mantle layering with concentrate from kimberlites or placers. Orthopyroxene method (Brey, Kohler,1990)-(McGregor, 1974) was used for calibration of others. Clinopyroxene. Po =0.04*Kd *ToC/(1-2.4*Fe)-5.5 where KD = Na/Ca *Mg/(Al+Cr)and polynomial P = 0.00006*Po3 - 0.0156*Po2 + 1.6757*Po (R2 = 0.8245). The ToC (Nimis -Taylor, 2000) are corrected ToC= 000001*TooC**2 +0.9575*TooC+107.01 Garnet. Thermometers based on: 1) OPx's (Brey, Kohler,1990) estimates, ToC =5272.5*(Ln(KD)/P)3+10265* (Ln(KD)/P)2+ 6472* Ln(KD)/P +2113 where KD= MgO*TiO2/((CaO+MgO)2* FeO*Al2O3 2) CPx (Nimis, Taylor, 2000), : T0oC =362.05*(Ln(KD)/P)3+1880.4* (Ln(KD))/P2+2659.6* Ln(KD)/P +1695.5 where KD= Na2O*MnO*TiO2/(CaO+MgO)* FeO*Al2O3, 3) Gar-Cpx (Krogh, 1988) KD= Na2O*MnO*TiO2/(CaO+MgO)* FeO*Al2O3, 4)Ni in garnet thermometry (Griffin, 1989) with Ni(ppm) =88,877*E**(-5.021*Ni'), (R2=0.69) where Ni' =MnO*ln(FeO)/ln(MgO)*1.1-0.193*TiO2 +0.003*ln(Na2O)- 0.003*Cr2O3+0.0035*CaO+0.004*Al2O3 ToC =0.0004*Ni3-0.0304*Ni2 +7.6318*Ni+ 597.2 ( R2 = 0.69) Chromite P=0.86347*(Cr/(Cr+Al)* ToC/14+Ti*0.1) the second approximation P=0.0004*Po3-0.0342*Po2+1.5323*Po The temperatures are determined using monomineral version of the Ol-Sp thermometer (Taylor et al.,1998) Fo=0.06+0.0005*P for P >30 kbar and Fo=0.095+0.0001*Po for the lower pressures. The Sp-Ol oxybarometer (Taylor et al ., 1998) give the lineal correlation with monomineral version made in the same manner (R-0,96). Ilmenite. P= (TiO2-23.)*2.15-(ToC-700)/20*MgO*Cr2O3-1.5*MnO)*ToC/1273 and further P=10*(60-Po)/60+Po. Monomineral version Ol-Il thermometer (Taylor et al ., 1998) where Fo=0.11+0.00025*P for pressures lower then 30 kbar and Fo=0.10+0.00025*P for greater pressures. The monomineral fO2 oxybarometer same Fo content . Data for 7 kimberlite fields in Yakutia show large scale variations of the mantle different part of Siberian platform

  17. Functional correlates of compensatory renal hypertrophy

    PubMed Central

    Hayslett, John P.; Kashgarian, Michael; Epstein, Franklin H.

    1968-01-01

    The functional correlates of compensatory renal hypertrophy were studied by micropuncture techniques in rats after the removal of one kidney. The glomerular filtration rate increased to roughly the same extent in the whole kidney and in individual surface nephrons, resulting in a greater amount of sodium delivered to the tubules for reabsorption. The fraction of the glomerular filtrate absorbed [determined from the tubular fluid-to-plasma ratio (TF/P) for inulin] remained unchanged in both proximal and distal portions of the nephron. The way in which the tubules adjusted to nephrectomy, however, differed in proximal and distal convolutions. After nephrectomy, the reabsorptive half-time, indicated by the rate of shrinkage of a droplet of saline in a tubule blocked with oil, was unchanged in the proximal tubule but significantly shortened in the distal convoluted tubule. Nevertheless, steady-state concentrations of sodium in an isolated raffinose droplet in the distal as well as the proximal tubule were the same in hypertrophied kidneys as in control animals. Possible reasons for this paradox are discussed. Transit time through the proximal tubules was unchanged by compensatory hypertrophy, but transit time to the distal tubules was prolonged. Changes in renal structure resulting from compensatory hypertrophy were also found to differ in the proximal and the distal protions of the nephron. Although tubular volume increased in both protions, the volume increase was twice as great in the proximal tubule as in the distal. In order, therefore, for net reabsorption to increase in the distal tubule, where the changes in tubular volume are not so marked, an increase in reabsorptive capacity per unit length of tubule is required. This increase is reflected in the shortening of reabsorptive half-time in the oil-blocked distal tubule that was actually observed. PMID:5641618

  18. Nonlocal density-functional description constructed from a correlated many-body wave function

    NASA Astrophysics Data System (ADS)

    Umezawa, Naoto; Tsuneyuki, Shinji

    2004-03-01

    We suggest a new approach to the nonlocal density-functional theory. In our method, the nonlocal correlation functional is derived from a correlated many-body wave function using the transcorrelated similarity transformation [1,2]. Our formalism is rigorous in principle if the v-representable density is assumed. In practice, Jastrow-Slater-type wave function is adopted and the correlation functional consists of many-body interactions originated from the Jastrow factor. Instead of struggling with these higher order interactions, we retain only 2-body interactions multiplying an adjusting parameter so that it can reproduce the exact correlation energy for the homogeneous electron gas. Therefore, the computational cost is comparable to the exact exchange method. Moreover, parameters in the Jastrow factor are determined by the two conditions: the cusp conditions and the random-phase approximation without empirical fitting. We found that our correlation functional gives fairly good results for small atoms and ions (He, Li^+, Be^2+, Li, and Be). [1]S. F. Boys and N. C. Handy, Proc. Roy. Soc. A, 309, 209; 310, 43; 310, 63; 311, 309. [2] N. Umezawa and S. Tsuneyuki, J. Chem. Phys. 119, 10015 (2003).

  19. Model updating using correlation analysis of strain frequency response function

    NASA Astrophysics Data System (ADS)

    Guo, Ning; Yang, Zhichun; Jia, You; Wang, Le

    2016-03-01

    A method is proposed to modify the structural parameters of a dynamic finite element (FE) model by using the correlation analysis for strain frequency response function (SFRF). Sensitivity analysis of correlation coefficients is used to establish the linear algebraic equations for model updating. In order to improve the accuracy of updated model, the regularization technique is used to solve the ill-posed problem in model updating procedure. Finally, a numerical study and a model updating experiment are performed to verify the feasibility and robustness of the proposed method. The results show that the updated SFRFs and experimental SFRFs agree well, especially in resonance regions. Meanwhile, the proposed method has good robustness to noise ability and remains good feasibility even the number of measurement locations reduced significantly.

  20. Cartridge case image matching using effective correlation area based method.

    PubMed

    Yammen, S; Muneesawang, P

    2013-06-10

    A firearm leaves a unique impression on fired cartridge cases. The cross-correlation function plays an important role in matching the characteristic features on the cartridge case found at the crime scene with a specific firearm, for accurate firearm identification. This paper proposes that the computational forensic techniques of alignment and effective correlation area-based approaches to image matching are essential to firearm identification. Specifically, the reference and the corresponding cartridge cases are aligned according to the phase-correlation criterion on the transform domain. The informative segments of the breech face marks are identified by a cross-covariance coefficient using the coefficient value in a window located locally in the image space. The segments are then passed to the measurement of edge density for computing effective correlation areas. Experimental results on a new dataset show that the correlation system can make use of the best properties of alignment and effective correlation area-based approaches, and can attain significant improvement of image-correlation results, compared with the traditional image-matching methods for firearm identification, which employ cartridge-case samples. An analysis of image-alignment score matrices suggests that all translation and scaling parameters are estimated correctly, and contribute to the successful extraction of effective correlation areas. It was found that the proposed method has a high discriminant power, compared with the conventional correlator. This paper advocates that this method will enable forensic science to compile a large-scale image database to perform correlation of cartridge case bases, in order to identify firearms that involve pairwise alignments and comparisons.

  1. A cumulant functional for static and dynamic correlation

    NASA Astrophysics Data System (ADS)

    Hollett, Joshua W.; Hosseini, Hessam; Menzies, Cameron

    2016-08-01

    A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H2, LiH, and N2 with equilibrium bond lengths and dissociation energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F2, mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional.

  2. Density Functional Plus Dynamical Mean Field Theory of Correlated Oxides

    NASA Astrophysics Data System (ADS)

    Millis, Andrew

    2015-03-01

    The density functional plus dynamical mean field method is outlined and a few recent successes including applications to spin crossover molecules, oxide superlattices and metal-insulator transitions in bulk transition metals are outlined. Insights from the method into the essential role played by lattice distortions (both rotations and bond length changes) in determining the phase diagrams of correlated materials are presented. The key theoretical issue of the double counting correction is outlined, different approaches are compared, and a connection to the energy level differences between strongly and weakly correlated orbitals is presented. Charge transfer across oxide interfaces shown to depend crucially on the double counting correction, suggesting that experiments on oxide superlattices may provide insights into this important problem. Future directions are discussed. This work is performed in collaboration with Jia Chen, Hung Dang, Hyowon Park and Chris Marianetti. This research supported by the DOE Office of Science, Grant ER 046169.

  3. Correlation functions and cumulants in elliptic flow analysis

    NASA Astrophysics Data System (ADS)

    Kovchegov, Yuri V.; Tuchin, Kirill L.

    2003-04-01

    We consider various methods of flow analysis in heavy ion collisions and compare experimental data on corresponding observables to the predictions of our saturation model proposed earlier [Nucl. Phys. A 708 (2002) 413]. We demonstrate that, due to the nature of the standard flow analysis, azimuthal distribution of particles with respect to reaction plane determined from the second order harmonics should always be proportional to cos2( φ- ΨR) independent of the physical origin of particle correlations (flow or non-flow). The amplitude of this distribution is always physical and proportional to v2. Two-particle correlations analysis is, therefore, a more reliable way of extracting the shape of physical azimuthal anisotropy. We demonstrate that two-particle correlation functions generated in our minijet model of particle production [Nucl. Phys. A 708 (2002) 413] are in good agreement with the data reported by PHENIX. We discuss the role of non-flow correlations in the cumulant flow analysis and demonstrate using a simple example that if the flow is weak, higher order cumulants analysis does not significantly reduce the contribution of non-flow correlations to elliptic flow observable v2 in RHIC data.

  4. Can density cumulant functional theory describe static correlation effects?

    PubMed

    Mullinax, J Wayne; Sokolov, Alexander Yu; Schaefer, Henry F

    2015-06-01

    We evaluate the performance of density cumulant functional theory (DCT) for capturing static correlation effects. In particular, we examine systems with significant multideterminant character of the electronic wave function, such as the beryllium dimer, diatomic carbon, m-benzyne, 2,6-pyridyne, twisted ethylene, as well as the barrier for double-bond migration in cyclobutadiene. We compute molecular properties of these systems using the ODC-12 and DC-12 variants of DCT and compare these results to multireference configuration interaction and multireference coupled-cluster theories, as well as single-reference coupled-cluster theory with single, double (CCSD), and perturbative triple excitations [CCSD(T)]. For all systems the DCT methods show intermediate performance between that of CCSD and CCSD(T), with significant improvement over the former method. In particular, for the beryllium dimer, m-benzyne, and 2,6-pyridyne, the ODC-12 method along with CCSD(T) correctly predict the global minimum structures, while CCSD predictions fail qualitatively, underestimating the multireference effects. Our results suggest that the DC-12 and ODC-12 methods are capable of describing emerging static correlation effects but should be used cautiously when highly accurate results are required. Conveniently, the appearance of multireference effects in DCT can be diagnosed by analyzing the DCT natural orbital occupations, which are readily available at the end of the energy computation.

  5. Can density cumulant functional theory describe static correlation effects?

    PubMed

    Mullinax, J Wayne; Sokolov, Alexander Yu; Schaefer, Henry F

    2015-06-01

    We evaluate the performance of density cumulant functional theory (DCT) for capturing static correlation effects. In particular, we examine systems with significant multideterminant character of the electronic wave function, such as the beryllium dimer, diatomic carbon, m-benzyne, 2,6-pyridyne, twisted ethylene, as well as the barrier for double-bond migration in cyclobutadiene. We compute molecular properties of these systems using the ODC-12 and DC-12 variants of DCT and compare these results to multireference configuration interaction and multireference coupled-cluster theories, as well as single-reference coupled-cluster theory with single, double (CCSD), and perturbative triple excitations [CCSD(T)]. For all systems the DCT methods show intermediate performance between that of CCSD and CCSD(T), with significant improvement over the former method. In particular, for the beryllium dimer, m-benzyne, and 2,6-pyridyne, the ODC-12 method along with CCSD(T) correctly predict the global minimum structures, while CCSD predictions fail qualitatively, underestimating the multireference effects. Our results suggest that the DC-12 and ODC-12 methods are capable of describing emerging static correlation effects but should be used cautiously when highly accurate results are required. Conveniently, the appearance of multireference effects in DCT can be diagnosed by analyzing the DCT natural orbital occupations, which are readily available at the end of the energy computation. PMID:26575548

  6. Nonlocal exchange correlation in screened-exchange densityfunctional methods

    SciTech Connect

    Lee, Byounghak; Wang, Lin-Wang; Spataru, Catalin D.; Louie,Steven G.

    2007-04-22

    We present a systematic study on the exchange-correlationeffects in screened-exchange local density functional method. Toinvestigate the effects of the screened-exchange potential in the bandgap correction, we have compared the exchange-correlation potential termin the sX-LDA formalism with the self-energy term in the GWapproximation. It is found that the band gap correction of the sX-LDAmethod primarily comes from the downshift of valence band states,resulting from the enhancement of bonding and the increase of ionizationenergy. The band gap correction in the GW method, on the contrary, comesin large part from the increase of theconduction band energies. We alsostudied the effects of the screened-exchange potential in the totalenergy by investigating the exchange-correlation hole in comparison withquantum Monte Carlo calculations. When the Thomas-Fermi screening isused, the sX-LDA method overestimates (underestimates) theexchange-correlation hole in short (long) range. From theexchange-correlation energy analysis we found that the LDA method yieldsbetter absolute total energy than sX-LDA method.

  7. Brain structure and function correlates of cognitive subtypes in schizophrenia.

    PubMed

    Geisler, Daniel; Walton, Esther; Naylor, Melissa; Roessner, Veit; Lim, Kelvin O; Charles Schulz, S; Gollub, Randy L; Calhoun, Vince D; Sponheim, Scott R; Ehrlich, Stefan

    2015-10-30

    Stable neuropsychological deficits may provide a reliable basis for identifying etiological subtypes of schizophrenia. The aim of this study was to identify clusters of individuals with schizophrenia based on dimensions of neuropsychological performance, and to characterize their neural correlates. We acquired neuropsychological data as well as structural and functional magnetic resonance imaging from 129 patients with schizophrenia and 165 healthy controls. We derived eight cognitive dimensions and subsequently applied a cluster analysis to identify possible schizophrenia subtypes. Analyses suggested the following four cognitive clusters of schizophrenia: (1) Diminished Verbal Fluency, (2) Diminished Verbal Memory and Poor Motor Control, (3) Diminished Face Memory and Slowed Processing, and (4) Diminished Intellectual Function. The clusters were characterized by a specific pattern of structural brain changes in areas such as Wernicke's area, lingual gyrus and occipital face area, and hippocampus as well as differences in working memory-elicited neural activity in several fronto-parietal brain regions. Separable measures of cognitive function appear to provide a method for deriving cognitive subtypes meaningfully related to brain structure and function. Because the present study identified brain-based neural correlates of the cognitive clusters, the proposed groups of individuals with schizophrenia have some external validity.

  8. Spontaneous symmetry breaking in correlated wave functions

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valenti, Roser; Becca, Federico; Gros, Claudius

    We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is mainly related to the presence of a sufficiently strong Jastrow term (also including the case of full Gutzwiller projection, suitable for describing spin models). Selected examples are reported, including the spawning of Néel order and dimerization in spin systems, and the stabilization of density and orbital order in itinerant electronic systems

  9. Spontaneous symmetry breaking in correlated wave functions

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Becca, Federico; Gros, Claudius

    2016-03-01

    We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is mainly related to the presence of a sufficiently strong Jastrow term (also including the case of full Gutzwiller projection, suitable for describing spin models). Selected examples are reported, including the spawning of Néel order and dimerization in spin systems, and the stabilization of charge and orbital order in itinerant electronic systems.

  10. Generalized -deformed correlation functions as spectral functions of hyperbolic geometry

    NASA Astrophysics Data System (ADS)

    Bonora, L.; Bytsenko, A. A.; Guimarães, M. E. X.

    2014-08-01

    We analyze the role of vertex operator algebra and 2d amplitudes from the point of view of the representation theory of infinite-dimensional Lie algebras, MacMahon and Ruelle functions. By definition p-dimensional MacMahon function, with , is the generating function of p-dimensional partitions of integers. These functions can be represented as amplitudes of a two-dimensional c = 1 CFT, and, as such, they can be generalized to . With some abuse of language we call the latter amplitudes generalized MacMahon functions. In this paper we show that generalized p-dimensional MacMahon functions can be rewritten in terms of Ruelle spectral functions, whose spectrum is encoded in the Patterson-Selberg function of three-dimensional hyperbolic geometry.

  11. Interpolation method for pair correlations in classical crystals

    NASA Astrophysics Data System (ADS)

    Yurchenko, Stanislav O.; Kryuchkov, Nikita P.; Ivlev, Alexei V.

    2016-06-01

    Effects of anharmonicity on the pair correlation function of classical crystals are studied. The recently proposed shortest-graph approach using the Gaussian representation of the individual correlation peaks (the peak width is determined by the length of the shortest graph connecting a given pair of particles) is further improved, to account for anharmonic corrections due to finite temperatures and hard-sphere-like interactions. Two major effects are identified, leading to a modification of the correlation peaks at large or short distances: (i) the peaks at large distances, well described by Gaussians, should be calculated from the finite-temperature phonon spectra; (ii) at short distances, the correlation peaks deviate significantly from the Gaussian form due to the lattice discreteness. We propose the analytical interpolation method, based on the shortest-graph approach, which includes both effects. By employing the molecular dynamics simulations, the accuracy of the method is verified for three- and two-dimensional crystals with the Yukawa, inverse-power-law, and pseudo-hard-sphere pair interactions. The capabilities of the method are demonstrated by calculating the phase diagram of a three-dimensional Yukawa system.

  12. Interpolation method for pair correlations in classical crystals.

    PubMed

    Yurchenko, Stanislav O; Kryuchkov, Nikita P; Ivlev, Alexei V

    2016-06-15

    Effects of anharmonicity on the pair correlation function of classical crystals are studied. The recently proposed shortest-graph approach using the Gaussian representation of the individual correlation peaks (the peak width is determined by the length of the shortest graph connecting a given pair of particles) is further improved, to account for anharmonic corrections due to finite temperatures and hard-sphere-like interactions. Two major effects are identified, leading to a modification of the correlation peaks at large or short distances: (i) the peaks at large distances, well described by Gaussians, should be calculated from the finite-temperature phonon spectra; (ii) at short distances, the correlation peaks deviate significantly from the Gaussian form due to the lattice discreteness. We propose the analytical interpolation method, based on the shortest-graph approach, which includes both effects. By employing the molecular dynamics simulations, the accuracy of the method is verified for three- and two-dimensional crystals with the Yukawa, inverse-power-law, and pseudo-hard-sphere pair interactions. The capabilities of the method are demonstrated by calculating the phase diagram of a three-dimensional Yukawa system. PMID:27157408

  13. Fast electronic structure methods for strongly correlated molecular systems

    NASA Astrophysics Data System (ADS)

    Head-Gordon, Martin; Beran, Gregory J. O.; Sodt, Alex; Jung, Yousung

    2005-01-01

    A short review is given of newly developed fast electronic structure methods that are designed to treat molecular systems with strong electron correlations, such as diradicaloid molecules, for which standard electronic structure methods such as density functional theory are inadequate. These new local correlation methods are based on coupled cluster theory within a perfect pairing active space, containing either a linear or quadratic number of pair correlation amplitudes, to yield the perfect pairing (PP) and imperfect pairing (IP) models. This reduces the scaling of the coupled cluster iterations to no worse than cubic, relative to the sixth power dependence of the usual (untruncated) coupled cluster doubles model. A second order perturbation correction, PP(2), to treat the neglected (weaker) correlations is formulated for the PP model. To ensure minimal prefactors, in addition to favorable size-scaling, highly efficient implementations of PP, IP and PP(2) have been completed, using auxiliary basis expansions. This yields speedups of almost an order of magnitude over the best alternatives using 4-center 2-electron integrals. A short discussion of the scope of accessible chemical applications is given.

  14. Landau gauge Yang-Mills correlation functions

    NASA Astrophysics Data System (ADS)

    Cyrol, Anton K.; Fister, Leonard; Mitter, Mario; Pawlowski, Jan M.; Strodthoff, Nils

    2016-09-01

    We investigate Landau gauge S U (3 ) Yang-Mills theory in a systematic vertex expansion scheme for the effective action with the functional renormalization group. Particular focus is put on the dynamical creation of the gluon mass gap at nonperturbative momenta and the consistent treatment of quadratic divergences. The nonperturbative ghost and transverse gluon propagators as well as the momentum-dependent ghost-gluon, three-gluon and four-gluon vertices are calculated self-consistently with the classical action as the only input. The apparent convergence of the expansion scheme is discussed and within the errors, our numerical results are in quantitative agreement with available lattice results.

  15. A Representation for Fermionic Correlation Functions

    NASA Astrophysics Data System (ADS)

    Feldman, Joel; Knörrer, Horst; Trubowitz, Eugene

    Let dμS(a) be a Gaussian measure on the finitely generated Grassmann algebra A. Given an even W(a)∈A, we construct an operator R on A such that for all f(a)∈A. This representation of the Schwinger functional iteratively builds up Feynman graphs by successively appending lines farther and farther from f. It allows the Pauli exclusion principle to be implemented quantitatively by a simple application of Gram's inequality.

  16. Analytical correlation functions for motion through diffusivity landscapes.

    PubMed

    Roosen-Runge, Felix; Bicout, Dominique J; Barrat, Jean-Louis

    2016-05-28

    Diffusion of a particle through an energy and diffusivity landscape is a very general phenomenon in numerous systems of soft and condensed matter. On the one hand, theoretical frameworks such as Langevin and Fokker-Planck equations present valuable accounts to understand these motions in great detail, and numerous studies have exploited these approaches. On the other hand, analytical solutions for correlation functions, as, e.g., desired by experimentalists for data fitting, are only available for special cases. We explore the possibility to use different theoretical methods in the specific picture of time-dependent switching between diffusive states to derive analytical functions that allow to link experimental and simulation results to theoretical calculations. In particular, we present a closed formula for diffusion switching between two states, as well as a general recipe of how to generalize the formula to multiple states. PMID:27250281

  17. Analytical correlation functions for motion through diffusivity landscapes

    NASA Astrophysics Data System (ADS)

    Roosen-Runge, Felix; Bicout, Dominique J.; Barrat, Jean-Louis

    2016-05-01

    Diffusion of a particle through an energy and diffusivity landscape is a very general phenomenon in numerous systems of soft and condensed matter. On the one hand, theoretical frameworks such as Langevin and Fokker-Planck equations present valuable accounts to understand these motions in great detail, and numerous studies have exploited these approaches. On the other hand, analytical solutions for correlation functions, as, e.g., desired by experimentalists for data fitting, are only available for special cases. We explore the possibility to use different theoretical methods in the specific picture of time-dependent switching between diffusive states to derive analytical functions that allow to link experimental and simulation results to theoretical calculations. In particular, we present a closed formula for diffusion switching between two states, as well as a general recipe of how to generalize the formula to multiple states.

  18. Constructing a bivariate distribution function with given marginals and correlation: application to the galaxy luminosity function

    NASA Astrophysics Data System (ADS)

    Takeuchi, Tsutomu T.

    2010-08-01

    We provide an analytic method to construct a bivariate distribution function (DF) with given marginal distributions and correlation coefficient. We introduce a convenient mathematical tool, called a copula, to connect two DFs with any prescribed dependence structure. If the correlation of two variables is weak (Pearson's correlation coefficient |ρ| < 1/3), the Farlie-Gumbel-Morgenstern (FGM) copula provides an intuitive and natural way to construct such a bivariate DF. When the linear correlation is stronger, the FGM copula cannot work anymore. In this case, we propose using a Gaussian copula, which connects two given marginals and is directly related to the linear correlation coefficient between two variables. Using the copulas, we construct the bivariate luminosity function (BLF) and discuss its statistical properties. We focus especially on the far-infrared-far-ulatraviolet (FUV-FIR) BLF, since these two wavelength regions are related to star-formation (SF) activity. Though both the FUV and FIR are related to SF activity, the univariate LFs have a very different functional form: the former is well described by the Schechter function whilst the latter has a much more extended power-law-like luminous end. We construct the FUV-FIR BLFs using the FGM and Gaussian copulas with different strengths of correlation, and examine their statistical properties. We then discuss some further possible applications of the BLF: the problem of a multiband flux-limited sample selection, the construction of the star-formation rate (SFR) function, and the construction of the stellar mass of galaxies (M*)-specific SFR (SFR/M*) relation. The copulas turn out to be a very useful tool to investigate all these issues, especially for including complicated selection effects.

  19. 42 CFR 476.86 - Correlation of Title XI functions with Title XVIII functions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 42 Public Health 4 2011-10-01 2011-10-01 false Correlation of Title XI functions with Title XVIII functions. 476.86 Section 476.86 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF...) Qio Review Functions § 476.86 Correlation of Title XI functions with Title XVIII functions....

  20. Two-point correlation function of cosmic-string loops

    NASA Technical Reports Server (NTRS)

    Bennett, David P.; Bouchet, Francois R.

    1989-01-01

    The two-point correlations of cosmic-string loops are studied with numerical simulations of the evolution of a cosmic-string network in an expanding universe. It is found that the initial positions of loops that are chopped off the network have a correlation function that is quite similar to the highest estimates of the Abell-cluster correlation function, but these correlations are rapidly washed out by the motion of the loops. The implications for the cosmic-string galaxy-formation scenario are briefly discussed.

  1. Correlation functions of one-dimensional Bose-Fermi mixtures

    SciTech Connect

    Frahm, Holger; Palacios, Guillaume

    2005-12-15

    We calculate the asymptotic behavior of correlators as a function of the microscopic parameters for an integrable Bose-Fermi mixture with repulsive interaction in one dimension. For two cases, namely polarized and unpolarized fermions the singularities of the momentum distribution functions are characterized as a function of the coupling constant and the relative density of bosons.

  2. Ergodicity test of the eddy correlation method

    NASA Astrophysics Data System (ADS)

    Chen, J.; Hu, Y.; Yu, Y.; Lü, S.

    2014-07-01

    The turbulent flux observation in the near-surface layer is a scientific issue which researchers in the fields of atmospheric science, ecology, geography science, etc. are commonly interested in. For eddy correlation measurement in the atmospheric surface layer, the ergodicity of turbulence is a basic assumption of the Monin-Obukhov (M-O) similarity theory, which is confined to steady turbulent flow and homogenous surface; this conflicts with turbulent flow under the conditions of complex terrain and unsteady, long observational period, which the study of modern turbulent flux tends to focus on. In this paper, two sets of data from the Nagqu Station of Plateau Climate and Environment (NaPlaCE) and the cooperative atmosphere-surface exchange study 1999 (CASE99) were used to analyze and verify the ergodicity of turbulence measured by the eddy covariance system. Through verification by observational data, the vortex of atmospheric turbulence, which is smaller than the scale of the atmospheric boundary layer (i.e., its spatial scale is less than 1000 m and temporal scale is shorter than 10 min) can effectively meet the conditions of the average ergodic theorem, and belong to a wide sense stationary random processes. Meanwhile, the vortex, of which the spatial scale is larger than the scale of the boundary layer, cannot meet the conditions of the average ergodic theorem, and thus it involves non-ergodic stationary random processes. Therefore, if the finite time average is used to substitute for the ensemble average to calculate the average random variable of the atmospheric turbulence, then the stationary random process of the vortex, of which spatial scale was less than 1000 m and thus below the scale of the boundary layer, was possibly captured. However, the non-ergodic random process of the vortex, of which the spatial scale was larger than that of the boundary layer, could not be completely captured. Consequently, when the finite time average was used to substitute

  3. A cumulant functional for static and dynamic correlation.

    PubMed

    Hollett, Joshua W; Hosseini, Hessam; Menzies, Cameron

    2016-08-28

    A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H2, LiH, and N2 with equilibrium bond lengths and dissociation energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F2, mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional. PMID:27586903

  4. Sudomotor innervation in transthyretin amyloid neuropathy: Pathology and functional correlates

    PubMed Central

    Huang, Cho‐Min; Chiang, Hao‐Hua; Luo, Kai‐Ren; Kan, Hung‐Wei; Yang, Naomi Chu‐Chiao; Chiang, Hao; Lin, Whei‐Min; Lai, Shu‐Mei; Lee, Ming‐Jen; Shun, Chia‐Tung; Hsieh, Sung‐Tsang

    2015-01-01

    Objective Autonomic neuropathy is a major component of familial amyloid polyneuropathy (FAP) due to mutated transthyretin, with sudomotor failure as a common manifestation. This study aimed to investigate the pathology and clinical significance of sudomotor denervation. Methods Skin biopsies were performed on the distal leg of FAP patients with a follow‐up duration of 3.8 ± 1.6 years. Sudomotor innervation was stained with 2 markers: protein gene product 9.5 (PGP 9.5), a general neuronal marker, and vasoactive intestinal peptide (VIP), a sudomotor nerve functional marker, followed by quantitation according to sweat gland innervation index (SGII) for PGP 9.5 (SGIIPGP 9.5) and VIP (SGIIVIP). Results There were 28 patients (25 men) with Ala97Ser transthyretin and late onset (59.9 ± 6.0 years) disabling neuropathy. Autonomic symptoms were present in 22 patients (78.6%) at the time of skin biopsy. The SGIIPGP 9.5 and SGIIVIP of FAP patients were significantly lower than those of age‐ and gender‐matched controls. The reduction of SGIIVIP was more severe than that of SGIIPGP 9.5 (p = 0.002). Patients with orthostatic hypotension or absent sympathetic skin response at palms were associated with lower SGIIPGP 9.5 (p = 0.019 and 0.002, respectively). SGIIPGP 9.5 was negatively correlated with the disability grade at the time of skin biopsy (p = 0.004), and was positively correlated with the interval from the time of skin biopsy to the time of wheelchair usage (p = 0.029). Interpretation This study documented the pathological evidence of sudomotor denervation in FAP. SGIIPGP 9.5 was functionally correlated with autonomic symptoms, autonomic tests, ambulation status, and progression of disability. Ann Neurol 2015;78:272℃283 PMID:25973863

  5. ZeldovichRecon: Halo correlation function using the Zeldovich approximation

    NASA Astrophysics Data System (ADS)

    White, Martin

    2015-12-01

    ZeldovichRecon computes the halo correlation function using the Zeldovich approximation. It includes 3 variants:zelrecon.cpp, which computes the various contributions to the correlation function; zelrecon_ctypes.cpp, which is designed to be called from Python using the ctypes library; and a version which implements the "ZEFT" formalism of "A Lagrangian effective field theory" [arxiv:1506.05264] including the alpha term described in that paper.

  6. Characterization of maximally random jammed sphere packings: Voronoi correlation functions

    NASA Astrophysics Data System (ADS)

    Klatt, Michael A.; Torquato, Salvatore

    2014-11-01

    We characterize the structure of maximally random jammed (MRJ) sphere packings by computing the Minkowski functionals (volume, surface area, and integrated mean curvature) of their associated Voronoi cells. The probability distribution functions of these functionals of Voronoi cells in MRJ sphere packings are qualitatively similar to those of an equilibrium hard-sphere liquid and partly even to the uncorrelated Poisson point process, implying that such local statistics are relatively structurally insensitive. This is not surprising because the Minkowski functionals of a single Voronoi cell incorporate only local information and are insensitive to global structural information. To improve upon this, we introduce descriptors that incorporate nonlocal information via the correlation functions of the Minkowski functionals of two cells at a given distance as well as certain cell-cell probability density functions. We evaluate these higher-order functions for our MRJ packings as well as equilibrium hard spheres and the Poisson point process. It is shown that these Minkowski correlation and density functions contain visibly more information than the corresponding standard pair-correlation functions. We find strong anticorrelations in the Voronoi volumes for the hyperuniform MRJ packings, consistent with previous findings for other pair correlations [A. Donev et al., Phys. Rev. Lett. 95, 090604 (2005), 10.1103/PhysRevLett.95.090604], indicating that large-scale volume fluctuations are suppressed by accompanying large Voronoi cells with small cells, and vice versa. In contrast to the aforementioned local Voronoi statistics, the correlation functions of the Voronoi cells qualitatively distinguish the structure of MRJ sphere packings (prototypical glasses) from that of not only the Poisson point process but also the correlated equilibrium hard-sphere liquids. Moreover, while we did not find any perfect icosahedra (the locally densest possible structure in which a central

  7. Recovering refractive index correlation function from measurement of tissue scattering phase function (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Rogers, Jeremy D.

    2016-03-01

    Numerous methods have been developed to quantify the light scattering properties of tissue. These properties are of interest in diagnostic and screening applications due to sensitivity to changes in tissue ultrastructure and changes associated with disease such as cancer. Tissue is considered a weak scatterer because that the mean free path is much larger than the correlation length. When this is the case, all scattering properties can be calculated from the refractive index correlation function Bn(r). Direct measurement of Bn(r) is challenging because it requires refractive index measurement at high resolution over a large tissue volume. Instead, a model is usually assumed. One particularly useful model, the Whittle-Matern function includes several realistic function types such as mass fractal and exponential. Optical scattering properties for weakly scattering media can be determined analytically from Bn(r) by applying the Rayleigh-Gans-Debye (RGD) or Born Approximation, and so measured scattering properties are used to fit parameters of the model function. Direct measurement of Bn(r) would provide confirmation that the function is a good representation of tissue or help in identifying the length scale at which changes occur. The RGD approximation relates the scattering phase function to the refractive index correlation function through a Fourier transform. This can be inverted without approximation, so goniometric measurement of the scattering can be converted to Bn(r). However, geometric constraints of the measurement of the phase function, angular resolution, and wavelength result in a band limited measurement of Bn(r). These limits are discussed and example measurements are described.

  8. Structure of correlation functions in single-field inflation

    SciTech Connect

    Shandera, Sarah

    2009-06-15

    Many statistics available to constrain non-Gaussianity from inflation are simplest to use under the assumption that the curvature correlation functions are hierarchical. That is, if the n-point function is proportional to the (n-1) power of the two-point function amplitude and the fluctuations are small, the probability distribution can be approximated by expanding around a Gaussian in moments. However, single-field inflation with higher derivative interactions has a second small number, the sound speed, that appears in the problem when non-Gaussianity is significant and changes the scaling of correlation functions. Here we examine the structure of correlation functions in the most general single scalar field action with higher derivatives, formalizing the conditions under which the fluctuations can be expanded around a Gaussian distribution. We comment about the special case of the Dirac-Born-Infeld action.

  9. Dynamic BOLD functional connectivity in humans and its electrophysiological correlates.

    PubMed

    Tagliazucchi, Enzo; von Wegner, Frederic; Morzelewski, Astrid; Brodbeck, Verena; Laufs, Helmut

    2012-01-01

    Neural oscillations subserve many human perceptual and cognitive operations. Accordingly, brain functional connectivity is not static in time, but fluctuates dynamically following the synchronization and desynchronization of neural populations. This dynamic functional connectivity has recently been demonstrated in spontaneous fluctuations of the Blood Oxygen Level-Dependent (BOLD) signal, measured with functional Magnetic Resonance Imaging (fMRI). We analyzed temporal fluctuations in BOLD connectivity and their electrophysiological correlates, by means of long (≈50 min) joint electroencephalographic (EEG) and fMRI recordings obtained from two populations: 15 awake subjects and 13 subjects undergoing vigilance transitions. We identified positive and negative correlations between EEG spectral power (extracted from electrodes covering different scalp regions) and fMRI BOLD connectivity in a network of 90 cortical and subcortical regions (with millimeter spatial resolution). In particular, increased alpha (8-12 Hz) and beta (15-30 Hz) power were related to decreased functional connectivity, whereas gamma (30-60 Hz) power correlated positively with BOLD connectivity between specific brain regions. These patterns were altered for subjects undergoing vigilance changes, with slower oscillations being correlated with functional connectivity increases. Dynamic BOLD functional connectivity was reflected in the fluctuations of graph theoretical indices of network structure, with changes in frontal and central alpha power correlating with average path length. Our results strongly suggest that fluctuations of BOLD functional connectivity have a neurophysiological origin. Positive correlations with gamma can be interpreted as facilitating increased BOLD connectivity needed to integrate brain regions for cognitive performance. Negative correlations with alpha suggest a temporary functional weakening of local and long-range connectivity, associated with an idling state. PMID

  10. Correlation studies on surface particle detection methods

    NASA Technical Reports Server (NTRS)

    Peterson, Ronald V.; White, James C.

    1988-01-01

    The accurate determination of dust levels on optical surfaces is necessary to assess sensor system performance. A comparison study was made on several particle measurement methods including those based on direct imaging and light scattering. The effectiveness of removing the particles from the surface prior to determining particle size distributions was also assessed. These studies revealed that some methods, especially those requiring particle removal before analysis, are subject to large systematic errors affecting particle size distributions. Thus, an understanding of the particle measurement methods employed is necessary before any surface cleanliness or obstruction value assignments are accepted as true representations of an optical surface contamination condition.

  11. Design of exchange-correlation functionals through the correlation factor approach

    SciTech Connect

    Pavlíková Přecechtělová, Jana E-mail: Matthias.Ernzerhof@UMontreal.ca

    2015-10-14

    The correlation factor model is developed in which the spherically averaged exchange-correlation hole of Kohn-Sham theory is factorized into an exchange hole model and a correlation factor. The exchange hole model reproduces the exact exchange energy per particle. The correlation factor is constructed in such a manner that the exchange-correlation energy correctly reduces to exact exchange in the high density and rapidly varying limits. Four different correlation factor models are presented which satisfy varying sets of physical constraints. Three models are free from empirical adjustments to experimental data, while one correlation factor model draws on one empirical parameter. The correlation factor models are derived in detail and the resulting exchange-correlation holes are analyzed. Furthermore, the exchange-correlation energies obtained from the correlation factor models are employed to calculate total energies, atomization energies, and barrier heights. It is shown that accurate, non-empirical functionals can be constructed building on exact exchange. Avenues for further improvements are outlined as well.

  12. Universal Spatial Correlation Functions for Describing and Reconstructing Soil Microstructure

    PubMed Central

    Skvortsova, Elena B.; Mallants, Dirk

    2015-01-01

    Structural features of porous materials such as soil define the majority of its physical properties, including water infiltration and redistribution, multi-phase flow (e.g. simultaneous water/air flow, or gas exchange between biologically active soil root zone and atmosphere) and solute transport. To characterize soil microstructure, conventional soil science uses such metrics as pore size and pore-size distributions and thin section-derived morphological indicators. However, these descriptors provide only limited amount of information about the complex arrangement of soil structure and have limited capability to reconstruct structural features or predict physical properties. We introduce three different spatial correlation functions as a comprehensive tool to characterize soil microstructure: 1) two-point probability functions, 2) linear functions, and 3) two-point cluster functions. This novel approach was tested on thin-sections (2.21×2.21 cm2) representing eight soils with different pore space configurations. The two-point probability and linear correlation functions were subsequently used as a part of simulated annealing optimization procedures to reconstruct soil structure. Comparison of original and reconstructed images was based on morphological characteristics, cluster correlation functions, total number of pores and pore-size distribution. Results showed excellent agreement for soils with isolated pores, but relatively poor correspondence for soils exhibiting dual-porosity features (i.e. superposition of pores and micro-cracks). Insufficient information content in the correlation function sets used for reconstruction may have contributed to the observed discrepancies. Improved reconstructions may be obtained by adding cluster and other correlation functions into reconstruction sets. Correlation functions and the associated stochastic reconstruction algorithms introduced here are universally applicable in soil science, such as for soil classification

  13. Pair-correlation function of a metastable helium Bose-Einstein condensate

    SciTech Connect

    Zin, Pawel; Trippenbach, Marek; Gajda, Mariusz

    2004-02-01

    The pair-correlation function is one of the basic quantities to characterize the coherence properties of a Bose-Einstein condensate. We calculate this function in the experimentally important case of a zero temperature Bose-Einstein condensate in a metastable triplet helium state using the variational method with a pair-excitation ansatz. We compare our result with a pair-correlation function obtained for the hard-sphere potential with the same scattering length. Both functions are practically indistinguishable for distances greater than the scattering length. At smaller distances, due to interatomic interactions, the helium condensate shows strong correlations.

  14. Revealing quantum correlation by negativity of the Wigner function

    NASA Astrophysics Data System (ADS)

    Taghiabadi, Razieh; Akhtarshenas, Seyed Javad; Sarbishaei, Mohsen

    2016-05-01

    We analyze two two-mode continuous variable separable states with the same marginal states. We adopt the definition of classicality in the form of well-defined positive Wigner function describing the state and find that although the states possess positive local Wigner functions, they exhibit negative Wigner functions for the global states. Using the negativity of Wigner function as an indicator of nonclassicality, we show that despite these states possess different negativities of the Wigner function, they do not reveal this difference as phase space nonclassicalities such as negativity of the Mandel Q parameter or quadrature squeezing. We then concentrate on quantum correlation of these states and show that quantum discord and local quantum uncertainty, as two well-defined measures of quantum correlation, manifest the difference between negativity of the Wigner functions. The non-Gaussianity of these states is also examined and show that the difference in behavior of their non-Gaussianity is the same as the difference between negativity of their Wigner functions. We also investigate the influence of correlation rank criterion and find that when the states can be produced locally from classical states, the Wigner functions cannot reveal their quantum correlations.

  15. Determination of transfer function of COPE correlation interferometer instrument

    NASA Technical Reports Server (NTRS)

    Twitty, J.; Kindle, E. C.

    1976-01-01

    The comparison of theoretical and instrument response functions and its use as a procedure for determining the transfer function of the COPE correlation interferometer are summarized. Data show qualitative agreement can be obtained when discrepancies between theory and instrument are investigated and instrument components are analyzed in detail. Data were obtained using a set of calibration data and computer algorithms.

  16. Dynamical correlation effects on pair-correlation functions of spin polarized two-dimensional electron gas

    NASA Astrophysics Data System (ADS)

    Kumar, Krishan; Garg, Vinayak; Moudgil, R. K.

    2013-06-01

    We report a theoretical study on the spin-resolved pair-correlation functions gσσ'(r) of a two-dimensional electron gas having arbitrary spin polarization ζ by including the dynamics of exchange-correlations within the dynamical self-consistent mean-field theory of Hasegawa and Shimizu. The calculated g↑↑(r), g↓↓(r) and g↑↓(r) exhibit a nice agreement with the recent quantum Monte Carlo simulation data of Gori-Giorgi et al. However, the agreement for the minority spin correlation function g↓↓(r) decreases with increase in ζ and/or decrease in electron density. Nevertheless, the spin-summed correlation function remains close to the simulation data.

  17. Direct calculation of correlation length based on quasi-cumulant method

    NASA Astrophysics Data System (ADS)

    Fukushima, Noboru

    2014-03-01

    We formulate a method of directly obtaining a correlation length without full calculation of correlation functions, as a high-temperature series. The method is based on the quasi-cumulant method, which was formulated by the author in J. Stat. Phys. 111, 1049-1090 (2003) as a complementary method for the high-temperature series expansion originally for an SU(n) Heisenberg model, but is applicable to general spin models according to our recent reformulation. A correlation function divided by its lowest-order nonzero contribution has properties very similar to a generating function of some kind of moments, which we call quasi-moments. Their corresponding quasi-cumulants can be also derived, whose generating function is related to the correlation length. In addition, applications to other numerical methods such as the quantum Monte Carlo method are also discussed. JSPS KAKENHI Grant Number 25914008.

  18. Correlation functions of the integrable spin-s chain

    NASA Astrophysics Data System (ADS)

    Ribeiro, G. A. P.; Klümper, A.

    2016-06-01

    We study the correlation functions of su(2) invariant spin-s chains in the thermodynamic limit. We derive nonlinear integral equations for an auxiliary correlation function ω for any spin s and finite temperature T. For the spin-3/2 chain for arbitrary temperature and zero magnetic field we obtain algebraic expressions for the reduced density matrix of two-sites. In the zero temperature limit, the density matrix elements are evaluated analytically and appear to be given in terms of Riemann’s zeta function values of even and odd arguments. Dedicated to Professor Rodney Baxter on the occasion of his 75th birthday.

  19. Photon-jet correlations and constraints on fragmentation functions

    SciTech Connect

    Belghobsi, Z.; Fontannaz, M.; Guillet, J.-Ph.; Pilon, E.; Werlen, M.; Heinrich, G.

    2009-06-01

    We study the production of a large-p{sub T} photon in association with a jet in proton-proton collisions. We examine the sensitivity of the jet rapidity distribution to the gluon distribution function in the proton. We then assess the sensitivity of various photon+jet correlation observables to the photon fragmentation functions. We argue that RHIC data on photon-jet correlations can be used to constrain the photon fragmentation functions in a region which was barely accessible in LEP experiments.

  20. Correlation function of four spins in the percolation model

    NASA Astrophysics Data System (ADS)

    Dotsenko, Vladimir S.

    2016-10-01

    By using the Coulomb gas technics we calculate the four-spin correlation function in the percolation q → 1 limit of the Potts model. It is known that the four-point functions define the actual fusion rules of a particular model. In this respect, we find that fusion of two spins, of dimension Δσ =5/96, produce a new channel, in the 4-point function, which is due to the operator with dimension Δ = 5 / 8.

  1. Correlated Monte Carlo wave functions for the atoms He through Ne

    SciTech Connect

    Schmidt, K.E. ); Moskowitz, J.W. )

    1990-09-15

    We apply the variational Monte Carlo method to the atoms He through Ne. Our trial wave function is of the form introduced by Boys and Handy. We use the Monte Carlo method to calculate the first and second derivatives of an unreweighted variance and apply Newton's method to minimize this variance. We motivate the form of the correlation function using the local current conservation arguments of Feynman and Cohen. Using a self-consistent field wave function multiplied by a Boys and Handy correlation function, we recover a large fraction of the correlation energy of these atoms. We give the value of all variational parameters necessary to reproduce our wave functions. The method can be extended easily to other atoms and to molecules.

  2. A Multiscale Modeling Demonstration Based on the Pair Correlation Function

    SciTech Connect

    Gao, Carrie Y; Nicholson, Don M; Keffer, David; Edwards, Brian J

    2008-01-01

    For systems with interatomic interactions that are well described by pair-wise potentials, the pair correlation function provides a vehicle for passing information from the molecular level to the macroscopic level of description. In this work, we present a complete demonstration of the use of the pair correlation function to simulate a fluid at the molecular and macroscopic levels. At the molecular level, we describe a monatomic fluid using the Ornstein-Zernike integral equation theory closed with the Percus-Yevick approximation. We show that all of the required thermodynamic properties can be evaluated knowing the pair correlation function. At the macroscopic level, we perform a multiscale simulation with macroscopic evolution equations for the mass, momentum, temperature, and pair correlation function, using molecular-level simulation to provide the boundary conditions. We perform a self-consistency check by comparing the pair correlation function that evolved from the multiscale simulation with the one evaluated at the molecular-level; excellent agreement is achieved.

  3. Correlation Function Analysis of Fiber Networks: Implications for Thermal Conductivity

    NASA Technical Reports Server (NTRS)

    Martinez-Garcia, Jorge; Braginsky, Leonid; Shklover, Valery; Lawson, John W.

    2011-01-01

    The heat transport in highly porous fiber structures is investigated. The fibers are supposed to be thin, but long, so that the number of the inter-fiber connections along each fiber is large. We show that the effective conductivity of such structures can be found from the correlation length of the two-point correlation function of the local conductivities. Estimation of the parameters, determining the conductivity, from the 2D images of the structures is analyzed.

  4. Summability methods for hermite functions

    NASA Astrophysics Data System (ADS)

    Boyd, John P.; Moore, Dennis W.

    1986-02-01

    Many problems in equatorial oceanography can be analytically solved via series of Hermite functions, but unfortunately these expansions converge very poorly. In this note, we describe two simple tricks for accurately evaluating such series. The first, due to Moore, is to apply numerical weighting factors to the last four terms in the series. This is a special case of a more powerful technique known as the 'Euler-Abel' method which is almost as easy to apply. Our numerical examples show that both methods are very effective. The Euler-Abel method gives an error which decreases exponentially fast as N, the number of terms retained in the truncated series, increases. Moore's method only reduced the error by a factor of 0(1/ N2) in comparison to the original series, but this is more than enough for most practical purposes, and this trick is simpler and distributes the error more uniformly in latitude than the Euler-Abel transformation. A conservative rule-of-thumb is that both methods give errors too small to observe on a graph on the range |γ| ⩽ ( 1/3)(2N+1) 1/2 where N is the number of terms in the Hermite series.

  5. N = 4 superconformal Ward identities for correlation functions

    NASA Astrophysics Data System (ADS)

    Belitsky, A. V.; Hohenegger, S.; Korchemsky, G. P.; Sokatchev, E.

    2016-03-01

    In this paper we study the four-point correlation function of the energy-momentum supermultiplet in theories with N = 4 superconformal symmetry in four dimensions. We present a compact form of all component correlators as an invariant of a particular abelian subalgebra of the N = 4 superconformal algebra. This invariant is unique up to a single function of the conformal cross-ratios which is fixed by comparison with the correlation function of the lowest half-BPS scalar operators. Our analysis is independent of the dynamics of a specific theory, in particular it is valid in N = 4 super Yang-Mills theory for any value of the coupling constant. We discuss in great detail a subclass of component correlators, which is a crucial ingredient for the recent study of charge-flow correlations in conformal field theories. We compute the latter explicitly and elucidate the origin of the interesting relations among different types of flow correlations previously observed in arXiv:1309.1424.

  6. Theoretical method for analyzing quantum dynamics of correlated photons

    SciTech Connect

    Koshino, Kazuki; Nakatani, Masatoshi

    2009-05-15

    We present a theoretical method for the efficient analysis of quantum nonlinear dynamics of correlated photons. Since correlated photons can be regarded as a superposition of uncorrelated photons, semiclassical analysis can be applied to this problem. The proposed method is demonstrated for a V-type three-level atom as a nonlinear optical system.

  7. On soft limits of large-scale structure correlation functions

    NASA Astrophysics Data System (ADS)

    Ben-Dayan, Ido; Konstandin, Thomas; Porto, Rafael A.; Sagunski, Laura

    2015-02-01

    We study soft limits of correlation functions for the density and velocity fields in the theory of structure formation. First, we re-derive the (resummed) consistency conditions at unequal times using the eikonal approximation. These are solely based on symmetry arguments and are therefore universal. Then, we explore the existence of equal-time relations in the soft limit which, on the other hand, depend on the interplay between soft and hard modes. We scrutinize two approaches in the literature: the time-flow formalism, and a background method where the soft mode is absorbed into a locally curved cosmology. The latter has been recently used to set up (angular averaged) `equal-time consistency relations'. We explicitly demonstrate that the time-flow relations and `equal-time consistency conditions' are only fulfilled at the linear level, and fail at next-to-leading order for an Einstein de-Sitter universe. While applied to the velocities both proposals break down beyond leading order, we find that the `equal-time consistency conditions' quantitatively approximates the perturbative results for the density contrast. Thus, we generalize the background method to properly incorporate the effect of curvature in the density and velocity fluctuations on short scales, and discuss the reasons behind this discrepancy. We conclude with a few comments on practical implementations and future directions.

  8. Gutzwiller density functional theory for correlated electron systems

    SciTech Connect

    Ho, K. M.; Schmalian, J.; Wang, C. Z.

    2008-02-04

    We develop a density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wave function which exactly obeys the Gutzwiller approximation for all one-particle operators. The solution of the many-electron problem is mapped onto the self-consistent solution of a set of single-particle Schroedinger equations, analogously to standard DFT-local density approximation calculations.

  9. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function

    PubMed Central

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications.

  10. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function.

    PubMed

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications. PMID:27601992

  11. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function

    PubMed Central

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications. PMID:27601992

  12. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function.

    PubMed

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications.

  13. A new 'Implicit correlation' method for cross-correlation sampling in MCNPX-PoliMi

    SciTech Connect

    Marcath, M. J.; Larsen, E. W.; Clarke, S. D.; Pozzi, S. A.

    2013-07-01

    Monte Carlo particle transport codes used to accurately model detector response are traditionally run in fully analog mode. Analog simulations of cross-correlation measurements with these codes are extremely time-consuming because the probability of correlated detection is extremely small, approximately equal to the product of the probabilities of a single detection in each detector. The new 'implicit correlation' method described here increases the number of correlation event scores thereby reducing variance and required computation times. The cost of the implicit correlation method is comparable to the cost of simulating single event detection for the lowest absolute detector efficiency in the problem. This method is especially useful in the nuclear non-proliferation and safeguards fields for simulating correlation measurements of shielded special nuclear material. The new method was implemented in MCNPX-PoliMi for neutron-neutron cross-correlations with a Cf-252 spontaneous fission source measured by two detectors of variable stand-offs. The method demonstrated good agreement with analog simulation results for multiple measurement geometries. Small differences between non-analog and analog cross-correlation distributions are attributed to known features of the specific problem simulated that will not be present in practical applications. (authors)

  14. Decay of fidelity in terms of correlation functions

    NASA Astrophysics Data System (ADS)

    Alicki, R.; Fannes, M.

    2009-01-01

    We consider, within the algebraic formalism, the time dependence of fidelity for qubits encoded in an open physical system. We relate the decay of fidelity to the evolution of correlation functions and, in the particular case of a Markovian dynamics, to the spectral gap of the generator of the semigroup. The results are applicable to the analysis of models of quantum memories.

  15. Upper Limb Assessment in Tetraplegia: Clinical, Functional and Kinematic Correlations

    ERIC Educational Resources Information Center

    Cacho, Enio Walker Azevedo; de Oliveira, Roberta; Ortolan, Rodrigo L.; Varoto, Renato; Cliquet, Alberto

    2011-01-01

    The aim of this study was to correlate clinical and functional evaluations with kinematic variables of upper limp reach-to-grasp movement in patients with tetraplegia. Twenty chronic patients were selected to perform reach-to-grasp kinematic assessment using a target placed at a distance equal to the arm's length. Kinematic variables (hand peak…

  16. Correlations and Functional Connections in a Population of Grid Cells

    PubMed Central

    Roudi, Yasser

    2015-01-01

    We study the statistics of spike trains of simultaneously recorded grid cells in freely behaving rats. We evaluate pairwise correlations between these cells and, using a maximum entropy kinetic pairwise model (kinetic Ising model), study their functional connectivity. Even when we account for the covariations in firing rates due to overlapping fields, both the pairwise correlations and functional connections decay as a function of the shortest distance between the vertices of the spatial firing pattern of pairs of grid cells, i.e. their phase difference. They take positive values between cells with nearby phases and approach zero or negative values for larger phase differences. We find similar results also when, in addition to correlations due to overlapping fields, we account for correlations due to theta oscillations and head directional inputs. The inferred connections between neurons in the same module and those from different modules can be both negative and positive, with a mean close to zero, but with the strongest inferred connections found between cells of the same module. Taken together, our results suggest that grid cells in the same module do indeed form a local network of interconnected neurons with a functional connectivity that supports a role for attractor dynamics in the generation of grid pattern. PMID:25714908

  17. Spatial Correlation Function of the Chandra Selected Active Galactic Nuclei

    NASA Technical Reports Server (NTRS)

    Yang, Y.; Mushotzky, R. F.; Barger, A. J.; Cowie, L. L.

    2006-01-01

    We present the spatial correlation function analysis of non-stellar X-ray point sources in the Chandra Large Area Synoptic X-ray Survey of Lockman Hole Northwest (CLASXS). Our 9 ACIS-I fields cover a contiguous solid angle of 0.4 deg(exp 2) and reach a depth of 3 x 10(exp -15) erg/square cm/s in the 2-8 keV band. We supplement our analysis with data from the Chandra Deep Field North (CDFN). The addition of this field allows better probe of the correlation function at small scales. A total of 233 and 252 sources with spectroscopic information are used in the study of the CLASXS and CDFN fields respectively. We calculate both redshift-space and projected correlation functions in co-moving coordinates, averaged over the redshift range of 0.1 < z < 3.0, for both CLASXS and CDFN fields for a standard cosmology with Omega(sub Lambda) = 0.73,Omega(sub M) = 0.27, and h = 0.71 (H(sub 0) = 100h km/s Mpc(exp -1). The correlation function for the CLASXS field over scales of 3 Mpc< s < 200 Mpc can be modeled as a power-law of the form xi(s) = (S/SO)(exp - gamma), with gamma = 1.6(sup +0.4 sub -0.3) and S(sub o) = 8.0(sup +.14 sub -1.5) Mpc. The redshift-space correlation function for CDFN on scales of 1 Mpc< s < 100 Mpc is found to have a similar correlation length so = 8.55(sup +0.74 sub -0.74) Mpc, but a shallower slope (gamma = 1.3 +/- 0.1). The real-space correlation functions derived from the projected correlation functions, are found to be tau(sub 0 = 8.1(sup +1.2 sub -2.2) Mpc, and gamma = 2.1 +/- 0.5 for the CLASXS field, and tau(sub 0) = 5.8(sup +.1.0 sub -1.5) Mpc, gamma = 1.38(sup +0.12 sub -0.14 for the CDFN field. By comparing the real- and redshift-space correlation functions in the combined CLASXS and CDFN samples, we are able to estimate the redshift distortion parameter Beta = 0.4 +/- 0.2 at an effective redshift z = 0.94. We compare the correlation functions for hard and soft spectra sources in the CLASXS field and find no significant difference between the

  18. Atlas-based diffusion tensor imaging correlates of executive function

    PubMed Central

    Nowrangi, Milap A.; Okonkwo, Ozioma; Lyketsos, Constantine; Oishi, Kenichi; Mori, Susumu; Albert, Marilyn; Mielke, Michelle M.

    2015-01-01

    Impairment in executive function (EF) is commonly found in Alzheimer’s Dementia (AD) and Mild Cognitive Impairment (MCI). Atlas-based Diffusion Tensor Imaging (DTI) methods may be useful in relating regional integrity to EF measures in MCI and AD. 66 participants (25 NC, 22 MCI, and 19 AD) received DTI scans and clinical evaluation. DTI scans were applied to a pre-segmented atlas and fractional anisotropy (FA) and mean diffusivity (MD) were calculated. ANOVA was used to assess group differences in frontal, parietal, and cerebellar regions. For regions differing between groups (p<0.01), linear regression examined the relationship between EF scores and regional FA and MD. Anisotropy and diffusivity in frontal and parietal lobe white matter (WM) structures were associated with EF scores in MCI and only frontal lobe structures in AD. EF was more strongly associated with FA than MD. The relationship between EF and anisotropy and diffusivity was strongest in MCI. These results suggest that regional WM integrity is compromised in MCI and AD and that FA may be a better correlate of EF than MD. PMID:25318544

  19. Local-hybrid functional based on the correlation length

    SciTech Connect

    Johnson, Erin R.

    2014-09-28

    Local-hybrid functionals involve position-dependent mixing of Hartree-Fock and density-functional exchange, which should allow improved performance relative to conventional hybrids by reducing the inherent delocalization error and improving the long-range behaviour. Herein, the same-spin correlation length, obtained from the Fermi-hole radius, is used as the mixing parameter. The performance of the resulting local-hybrid functional is assessed for standard thermochemical and kinetics benchmarks. The local hybrid is shown to perform significantly better than the corresponding global hybrid in almost all cases.

  20. Gas phase infrared spectra from quasi-classical Kubo time correlation functions

    NASA Astrophysics Data System (ADS)

    Beutier, J.; Vuilleumier, R.; Bonella, S.; Ciccotti, G.

    2015-09-01

    We generalise the recently developed phase integration method (PIM) to obtain a computable approximation of the Kubo expression for quantum time correlation functions. Our scheme combines exact sampling of the quantum thermal density with classical dynamics to provide a quasi-classical approximation for the correlation function. The method will be specialised to the evaluation of the momentum autocorrelation function, with the goal to compute infrared spectra of simple molecules in the gas phase. Application to two simple but interesting benchmark systems shows that the approach is accurate and stable over a broad range of temperatures.

  1. Acoustic ship signature measurements by cross-correlation method.

    PubMed

    Fillinger, Laurent; Sutin, Alexander; Sedunov, Alexander

    2011-02-01

    Cross-correlation methods were applied for the estimation of the power spectral density and modulation spectrum of underwater noise generated by moving vessels. The cross-correlation of the signal from two hydrophones allows the separation of vessel acoustic signatures in a busy estuary. Experimental data recorded in the Hudson River are used for demonstration that cross-correlation method measured the same ship noise and ship noise modulation spectra as conventional methods. The cross-correlation method was then applied for the separation of the acoustic signatures of two ships present simultaneously. Presented methods can be useful for ship traffic monitoring and small ship classification, even in noisy harbor environments. PMID:21361436

  2. Extension of local-type inequality for the higher order correlation functions

    SciTech Connect

    Suyama, Teruaki; Yokoyama, Shuichiro E-mail: shu@a.phys.nagoya-u.ac.jp

    2011-07-01

    For the local-type primordial perturbation, it is known that there is an inequality between the bispectrum and the trispectrum. By using the diagrammatic method, we develop a general formalism to systematically construct the similar inequalities up to any order correlation function. As an application, we explicitly derive all the inequalities up to six and eight-point functions.

  3. Correlation theory-based signal processing method for CMF signals

    NASA Astrophysics Data System (ADS)

    Shen, Yan-lin; Tu, Ya-qing

    2016-06-01

    Signal processing precision of Coriolis mass flowmeter (CMF) signals affects measurement accuracy of Coriolis mass flowmeters directly. To improve the measurement accuracy of CMFs, a correlation theory-based signal processing method for CMF signals is proposed, which is comprised of the correlation theory-based frequency estimation method and phase difference estimation method. Theoretical analysis shows that the proposed method eliminates the effect of non-integral period sampling signals on frequency and phase difference estimation. The results of simulations and field experiments demonstrate that the proposed method improves the anti-interference performance of frequency and phase difference estimation and has better estimation performance than the adaptive notch filter, discrete Fourier transform and autocorrelation methods in terms of frequency estimation and the data extension-based correlation, Hilbert transform, quadrature delay estimator and discrete Fourier transform methods in terms of phase difference estimation, which contributes to improving the measurement accuracy of Coriolis mass flowmeters.

  4. Large N correlation functions in superconformal field theories

    NASA Astrophysics Data System (ADS)

    Rodriguez-Gomez, Diego; Russo, Jorge G.

    2016-06-01

    We compute correlation functions of chiral primary operators in mathcal{N}=2 super-conformal theories at large N using a construction based on supersymmetric localization recently developed by Gerchkovitz et al. We focus on mathcal{N}=4 SYM as well as on supercon-formal QCD. In the case of mathcal{N}=4 we recover the free field theory results as expected due to non-renormalization theorems. In the case of superconformal QCD we study the planar expansion in the large N limit. The final correlators admit a simple generalization to a finite N formula which exactly matches the various small N results in the literature.

  5. Density functional theory for strongly-correlated ultracold dipolar gases

    NASA Astrophysics Data System (ADS)

    Malet Giralt, Francesc; Reimann, Stephanie; Gori-Giorgi, Paola; Lund University Collaboration

    2014-03-01

    We address quasi-one-dimensional strongly-correlated dipolar ultracold gases by means of density functional theory. We make use of an approximation for the Hartree-exchange-correlation that has been shown to be very accurate for electronic systems with coulombic interactions. We show that this approach allows to treat systems with very large particle numbers at relatively low computational cost. This work has been supported by a VIDI grant of the NWO and a Marie Curie grant within the FP7 programme.

  6. Long-range correlation energy calculated from coupled atomic response functions

    SciTech Connect

    Ambrosetti, Alberto; Reilly, Anthony M.; Tkatchenko, Alexandre; DiStasio, Robert A.

    2014-05-14

    An accurate determination of the electron correlation energy is an essential prerequisite for describing the structure, stability, and function in a wide variety of systems. Therefore, the development of efficient approaches for the calculation of the correlation energy (and hence the dispersion energy as well) is essential and such methods can be coupled with many density-functional approximations, local methods for the electron correlation energy, and even interatomic force fields. In this work, we build upon the previously developed many-body dispersion (MBD) framework, which is intimately linked to the random-phase approximation for the correlation energy. We separate the correlation energy into short-range contributions that are modeled by semi-local functionals and long-range contributions that are calculated by mapping the complex all-electron problem onto a set of atomic response functions coupled in the dipole approximation. We propose an effective range-separation of the coupling between the atomic response functions that extends the already broad applicability of the MBD method to non-metallic materials with highly anisotropic responses, such as layered nanostructures. Application to a variety of high-quality benchmark datasets illustrates the accuracy and applicability of the improved MBD approach, which offers the prospect of first-principles modeling of large structurally complex systems with an accurate description of the long-range correlation energy.

  7. Perturbative bosonization from two-point correlation functions

    NASA Astrophysics Data System (ADS)

    Dalmazi, D.; de Souza Dutra, A.; Hott, Marcelo

    2003-06-01

    Here we address the problem of bosonizing massive fermions without making expansions in the fermion masses in both massive QED2 and QED3 with N fermion flavors including also a Thirring coupling. We start from two-point correlators involving the U(1) fermionic current and the gauge field. From the tensor structure of those correlators we prove that the U(1) current must be identically conserved (topological) in the corresponding bosonized theory in both D=2 and D=3 dimensions. We find an effective generating functional in terms of bosonic fields which reproduces these two-point correlators and from that we obtain a map of the Lagrangian density ψ¯r(i∂/-m)ψr into a bosonic one in both dimensions. This map is nonlocal but it is independent of the electromagnetic and Thirring couplings, at least in the quadratic approximation for the fermionic determinant.

  8. Methods for the study of transverse momentum differential correlations

    NASA Astrophysics Data System (ADS)

    Sharma, Monika; Pruneau, Claude A.

    2009-02-01

    We introduce and compare three differential correlation functions for the study of transverse-momentum correlations in p+p and A+A collisions. These consist of inclusive and eventwise and a differential version of the correlation measure C~ introduced by Gavin [1] for experimental study of the viscosity per unit entropy of the matter produced in A+A collisions. We study the quantitative difference between the three observables on the basis of PYTHIA simulations of p+p collisions and A+A collisions consisting of an arbitrary superposition of p+p collision events at s=200 GeV. We observe that inclusive and eventwise correlation functions are remarkably similar to each other whereas the observable C~ differs quantitatively from the two. We study the robustness and efficiency dependencies of these observables based on truncated Taylor expansions in efficiency in p+p collisions and on the basis of Monte Carlo simulation using an ad hoc detector efficiency parametrization. We find that all the three observables are essentially independent of detector efficiency. We additionally study the scaling of the correlation measures and find all the observables exhibit an approximate 1/N dependence of the number of participants (N) in A+A collisions. Finally, we study the impact of flowlike anisotropy on the inclusive correlation function and find flow imparts azimuthal modulations similar to those observed with two-particle densities.

  9. Methods for the study of transverse momentum differential correlations

    SciTech Connect

    Sharma, Monika; Pruneau, Claude A.

    2009-02-15

    We introduce and compare three differential correlation functions for the study of transverse-momentum correlations in p+p and A+A collisions. These consist of inclusive and eventwise and a differential version of the correlation measure C-tildeintroduced by Gavin for experimental study of the viscosity per unit entropy of the matter produced in A+A collisions. We study the quantitative difference between the three observables on the basis of PYTHIA simulations of p+p collisions and A+A collisions consisting of an arbitrary superposition of p+p collision events at {radical}(s)=200 GeV. We observe that inclusive and eventwise correlation functions are remarkably similar to each other whereas the observable C-tilde differs quantitatively from the two. We study the robustness and efficiency dependencies of these observables based on truncated Taylor expansions in efficiency in p+p collisions and on the basis of Monte Carlo simulation using an ad hoc detector efficiency parametrization. We find that all the three observables are essentially independent of detector efficiency. We additionally study the scaling of the correlation measures and find all the observables exhibit an approximate 1/N dependence of the number of participants (N) in A+A collisions. Finally, we study the impact of flowlike anisotropy on the inclusive correlation function and find flow imparts azimuthal modulations similar to those observed with two-particle densities.

  10. Correlation functions and correlation widths in quantum-chaotic scattering for mesoscopic systems and nuclei.

    PubMed

    Ramos, J G G S; Barbosa, A L R; Carlson, B V; Frederico, T; Hussein, M S

    2016-01-01

    We derive analytical expressions for the correlation functions of the electronic conductance fluctuations of an open quantum dot under several conditions. Both the variation of energy and that of an external parameter, such as an applied perpendicular or parallel magnetic fields, are considered in the general case of partial openness. These expressions are then used to obtain the ensemble-averaged density of maxima, a measure recently suggested to contain invaluable information concerning the correlation widths of chaotic systems. The correlation width is then calculated for the case of energy variation, and a significant deviation from the Weisskopf estimate is found in the case of two terminals. The results are extended to more than two terminals. All of our results are analytical. The use of these results in other fields, such as nuclei, where the system can only be studied through a variation of the energy, is then discussed.

  11. Correlated Protein Function Prediction via Maximization of Data-Knowledge Consistency.

    PubMed

    Wang, Hua; Huang, Heng; Ding, Chris

    2015-06-01

    Conventional computational approaches for protein function prediction usually predict one function at a time, fundamentally. As a result, the protein functions are treated as separate target classes. However, biological processes are highly correlated in reality, which makes multiple functions assigned to a protein not independent. Therefore, it would be beneficial to make use of function category correlations when predicting protein functions. In this article, we propose a novel Maximization of Data-Knowledge Consistency (MDKC) approach to exploit function category correlations for protein function prediction. Our approach banks on the assumption that two proteins are likely to have large overlap in their annotated functions if they are highly similar according to certain experimental data. We first establish a new pairwise protein similarity using protein annotations from knowledge perspective. Then by maximizing the consistency between the established knowledge similarity upon annotations and the data similarity upon biological experiments, putative functions are assigned to unannotated proteins. Most importantly, function category correlations are gracefully incorporated into our learning objective through the knowledge similarity. Comprehensive experimental evaluations on the Saccharomyces cerevisiae species have demonstrated promising results that validate the performance of our methods.

  12. Theory for long time polymer and protein dynamics: Basis functions and time correlation functions

    NASA Astrophysics Data System (ADS)

    Tang, Wilfred H.; Chang, Xiao-yan; Freed, Karl F.

    1995-12-01

    We develop methods for alleviating the major impediment in the extension to larger and more complex systems of our matrix method theory for describing the long time dynamics of flexible polymers and proteins in solution. This impediment is associated with the enormous growth in size of the required basis set with the addition of higher order mode coupling basis functions, which are needed to describe the influence on the dynamics of the ``internal friction,'' or equivalently of the memory function matrices. We use the first order eigenfunctions (the generalized Rouse modes) to construct an approximate mode coupling basis. Specific applications are made to united atom models of alkanes with a white noise structureless solvent, where the theory is compared with Brownian dynamics simulations to provide a no-parameter stringent test of the theory. Good convergence is found to the full second order treatment with the new basis set whose size scales more nearly with the size of the system rather than the cube of the system with the previous full basis. These technical improvements enable us to test the need for third order contributions to the dynamics of the longer alkanes and to compute the orientational time correlation functions probed by fluorescence depolarization and NMR experiments. Additional symmetry considerations provide further reductions in the required basis set sizes.

  13. Functional correlates of military sexual assault in male veterans.

    PubMed

    Schry, Amie R; Hibberd, Rachel; Wagner, H Ryan; Turchik, Jessica A; Kimbrel, Nathan A; Wong, Madrianne; Elbogen, Eric E; Strauss, Jennifer L; Brancu, Mira

    2015-11-01

    Despite research findings that similar numbers of male and female veterans are affected by military sexual trauma (MST), there has been considerably less research on the effects of MST specific to male veterans. The aim of the present study was to provide preliminary data describing functional correlates of military sexual assault (MSA) among male Iraq/Afghanistan-era veterans to identify potential health care needs for this population. We evaluated the following functional correlates: posttraumatic stress disorder (PTSD) symptoms, depression symptoms, alcohol use, drug use, suicidality, social support, violent behavior in the past 30 days, incarceration, disability eligibility status, and use of outpatient mental health treatment. We compared 3 groups: (a) male veterans who endorsed a history of MSA (n = 39), (b) a general non-MSA sample (n = 2,003), and (c) a matched non-MSA sample (n = 39) identified by matching algorithms on the basis of factors (e.g., age, education, adult premilitary sexual trauma history, childhood sexual and physical trauma history, and race) that could increase veterans' vulnerability to the functional correlates examined. MSA in men was associated with greater PTSD symptom severity, greater depression symptom severity, higher suicidality, and higher outpatient mental health treatment, above and beyond the effects of vulnerability factors. These findings suggest that, for male veterans, MSA may result in a severe and enduring overall symptom profile requiring ongoing clinical management. PMID:26524280

  14. Methods of making functionalized nanorods

    DOEpatents

    Gur, Ilan; Milliron, Delia; Alivisatos, A. Paul; Liu, Haitao

    2012-01-10

    A process for forming functionalized nanorods. The process includes providing a substrate, modifying the substrate by depositing a self-assembled monolayer of a bi-functional molecule on the substrate, wherein the monolayer is chosen such that one side of the bi-functional molecule binds to the substrate surface and the other side shows an independent affinity for binding to a nanocrystal surface, so as to form a modified substrate. The process further includes contacting the modified substrate with a solution containing nanocrystal colloids, forming a bound monolayer of nanocrystals on the substrate surface, depositing a polymer layer over the monolayer of nanocrystals to partially cover the monolayer of nanocrystals, so as to leave a layer of exposed nanocrystals, functionalizing the exposed nanocrystals, to form functionalized nanocrystals, and then releasing the functionalized nanocrystals from the substrate.

  15. Correlation between Pediatric Balance Scale and Functional Test in Children with Cerebral Palsy

    PubMed Central

    Duarte, Natália de A. C.; Grecco, Luanda André Collange; Franco, Renata Calhes; Zanon, Nelci; Oliveira, Cláudia Santos

    2014-01-01

    [Purpose] To investigate the correlation of functional balance with the functional performance of children with cerebral palsy. [Subjects and Methods] This was a cross-sectional study of children with cerebral palsy with mild to moderate impairment. The children were divided into 3 groups based on motor impairment. The evaluation consisted of the administration of the Pediatric Balance Scale (PBS) and the Pediatric Evaluation Disability Inventory. Correlations between the instruments were determined by calculating Pearson’s correlation coefficients. [Results] In Group 1, a strong positive correlation was found between the PBS and the mobility dimension of the Pediatric Evaluation Disability Inventory (r=0.82), and a moderate correlation was found between the PBS and self-care dimension of the Pediatric Evaluation Disability Inventory (r=0.51). In Group 2, moderate correlations were found between the PBS and both the self-care dimension (r=0.57) and mobility dimension (r=0.41) of the Pediatric Evaluation Disability Inventory. In Group 3, the PBS was weakly correlated with the self-care dimension (r=0.11) and moderately correlated with the mobility dimension (r=0.55). [Conclusion] The PBS proved to be a good auxiliary tool for the evaluation of functional performance with regard to mobility, but cannot be considered a predictor of function in children with cerebral palsy. PMID:25013281

  16. The time correlation function perspective of NMR relaxation in proteins

    NASA Astrophysics Data System (ADS)

    Shapiro, Yury E.; Meirovitch, Eva

    2013-08-01

    We applied over a decade ago the two-body coupled-rotator slowly relaxing local structure (SRLS) approach to NMR relaxation in proteins. One rotator is the globally moving protein and the other rotator is the locally moving probe (spin-bearing moiety, typically the 15N-1H bond). So far we applied SRLS to 15N-H relaxation from seven different proteins within the scope of the commonly used data-fitting paradigm. Here, we solve the SRLS Smoluchowski equation using typical best-fit parameters as input, to obtain the corresponding generic time correlation functions (TCFs). The following new information is obtained. For actual rhombic local ordering and main ordering axis pointing along C_{i - 1}^α - C_i^α, the measurable TCF is dominated by the (K,K') = (-2,2), (2,2), and (0,2) components (K is the order of the rank 2 local ordering tensor), determined largely by the local motion. Global diffusion axiality affects the analysis significantly when the ratio between the parallel and perpendicular components exceeds approximately 1.5. Local diffusion axiality has a large and intricate effect on the analysis. Mode-coupling becomes important when the ratio between the global and local motional rates falls below 0.01. The traditional method of analysis - model-free (MF) - represents a simple limit of SRLS. The conditions under which the MF and SRLS TCFs are the same are specified. The validity ranges of wobble-in-a-cone and rotation on the surface of a cone as local motions are determined. The evolution of the intricate Smoluchowski operator from the simple diffusion operator for a sphere reorienting in isotropic medium is delineated. This highlights the fact that SRLS is an extension of the established stochastic theories for treating restricted motions. This study lays the groundwork for TCF-based comparison between mesoscopic SRLS and atomistic molecular dynamics.

  17. Predictive Classification of Correlated Targets with Application to Detection of Metastatic Cancer using Functional CT Imaging

    PubMed Central

    Wang, Yuan; Hobbs, Brian P.; Hu, Jianhua; Ng, Chaan S.; Do, Kim-Anh

    2015-01-01

    Summary Perfusion computed tomography (CTp) is an emerging functional imaging modality that uses physiological models to quantify characteristics pertaining to the passage of fluid through blood vessels. Perfusion characteristics provide physiological correlates for neovascularization induced by tumor angiogenesis. Thus CTp offers promise as a non-invasive quantitative functional imaging tool for cancer detection, prognostication, and treatment monitoring. In this paper, we develop a Bayesian probabilistic framework for simultaneous supervised classification of multivariate correlated objects using separable covariance. The classification approach is applied to discriminate between regions of liver that contain pathologically verified metastases from normal liver tissue using five perfusion characteristics. The hepatic regions tend to be highly correlated due to common vasculature. We demonstrate that simultaneous Bayesian classification yields dramatic improvements in performance in the presence of strong correlation among intra-subject units, yet remains competitive with classical methods in the presence of weak or no correlation. PMID:25851056

  18. Conformal Window and Correlation Functions in Lattice Conformal QCD

    NASA Astrophysics Data System (ADS)

    Iwasaki, Y.

    We discuss various aspects of Conformal Field Theories on the Lattice. We mainly investigate the SU(3) gauge theory with Nf degenerate fermions in the fundamental representation, employing the one-plaquette gauge action and the Wilson fermion action. First we make a brief review of our previous works on the phase structure of lattice gauge theories in terms of the gauge coupling constant and the quark mass. We thereby clarify the reason why we conjecture that the conformal window is 7 ≤ Nf ≤ 16. Secondly, we introduce a new concept, "conformal theories with IR cutof" and point out that any numerical simulation on a lattice is bounded by an IR cutoff ∧IR. Then we make predictions that when Nf is within the conformal window, the propagator of a meson G(t) behaves at large t, as G(t) = c exp (-mHt)/tα, that is, a modified Yukawa-type decay form, instead of the usual exponential decay form exp (-mHt), in the small quark mass region. This holds on an any lattice for any coupling constant g, as far as g is between 0 and g*, where g* is the IR fixed point. We verify that numerical results really satisfy the predictions for the Nf = 7 case and the Nf = 16 case. Thirdly, we discuss small number of flavors (Nf = 2 ˜ 6) QCD at finite temperatures. We point out theoretically and verify numerically that the correlation functions at T/Tc > 1 exhibit the characteristics of the conformal function with IR cutoff, an exponential decay with power correction. Investigating our numerical data by a new method which we call the "local-analysis" of propagators, we observe that the Nf = 7 case and the Nf = 2 at T ˜ 2Tc case are similar to each other, while the Nf = 16 case and the Nf = 2 at T = 102 ˜ 105Tc cases are similar to each other. Further, we observe our data are consistent with the picture that the Nf = 7 case and the Nf = 2 at T ˜ 2Tc case are close to the meson unparticle model. On the other hand, the Nf = 16 case and the Nf = 2 at T = 102 ˜ 105Tc cases are close to

  19. Semi-spectrum correlation methods for fingerprint recognition

    NASA Astrophysics Data System (ADS)

    Perju, Veacheslav L.; Casasent, David P.; Perju, Veacheslav V.; Saranciuc, Dorian I.

    2003-08-01

    There are presented the results of the investigations of the fingerprints' images correlation recognition in conditions of different distortions -- scale, angular orientation change, image's surface reducing, noises' influence. There are examined possibilities of the person's identification and their verification. There are proposed and investigated the method of the fingerprints' semi-spectrums recognition and the method of the fingerprints' space-dependent recognition.

  20. Exact correlation functions in SU(2) N=2 superconformal QCD.

    PubMed

    Baggio, Marco; Niarchos, Vasilis; Papadodimas, Kyriakos

    2014-12-19

    We report an exact solution of 2- and 3-point functions of chiral primary fields in SU(2) N=2 super-Yang-Mills theory coupled to four hypermultiplets. It is shown that these correlation functions are nontrivial functions of the gauge coupling, obeying differential equations which take the form of the semi-infinite Toda chain. We solve these equations recursively in terms of the Zamolodchikov metric that can be determined exactly from supersymmetric localization on the four-sphere. Our results are verified independently in perturbation theory with a Feynman diagram computation up to 2 loops. This is a short version of a companion paper that contains detailed technical remarks, additional material, and aspects of an extension to the SU(N) gauge group. PMID:25554873

  1. Dynamical functions of a 1D correlated quantum liquid

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Bozi, D.; Penc, K.

    2008-10-01

    The dynamical correlation functions in one-dimensional electronic systems show power-law behaviour at low energies and momenta close to integer multiples of the charge and spin Fermi momenta. These systems are usually referred to as Tomonaga-Luttinger liquids. However, near well defined lines of the (k,ω) plane the power-law behaviour extends beyond the low-energy cases mentioned above, and also appears at higher energies, leading to singular features in the photoemission spectra and other dynamical correlation functions. The general spectral-function expressions derived in this paper were used in recent theoretical studies of the finite-energy singular features in photoemission of the organic compound tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) metallic phase. They are based on a so-called pseudofermion dynamical theory (PDT), which allows us to systematically enumerate and describe the excitations in the Hubbard model starting from the Bethe ansatz, as well as to calculate the charge and spin object phase shifts appearing as exponents of the power laws. In particular, we concentrate on the spin-density m\\rightarrow 0 limit and on effects in the vicinity of the singular border lines, as well as close to half filling. Our studies take into account spectral contributions from types of microscopic processes that do not occur for finite values of the spin density. In addition, the specific processes involved in the spectral features of TTF-TCNQ are studied. Our results are useful for the further understanding of the unusual spectral properties observed in low-dimensional organic metals and also provide expressions for the one- and two-atom spectral functions of a correlated quantum system of ultracold fermionic atoms in a 1D optical lattice with on-site two-atom repulsion.

  2. Reduced density-matrix functional theory: Correlation and spectroscopy

    SciTech Connect

    Di Sabatino, S.; Romaniello, P.; Berger, J. A.; Reining, L.

    2015-07-14

    In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.

  3. The Neural Correlates of Shoulder Apprehension: A Functional MRI Study

    PubMed Central

    Shitara, Hitoshi; Shimoyama, Daisuke; Sasaki, Tsuyoshi; Hamano, Noritaka; Ichinose, Tsuyoshi; Yamamoto, Atsushi; Kobayashi, Tsutomu; Osawa, Toshihisa; Iizuka, Haku; Hanakawa, Takashi; Tsushima, Yoshito; Takagishi, Kenji

    2015-01-01

    Although shoulder apprehension is an established clinical finding and is important for the prevention of shoulder dislocation, how this subjective perception is evoked remains unclear. We elucidated the functional neuroplasticity associated with apprehension in patients with recurrent anterior shoulder instability (RSI) using functional magnetic resonance imaging (fMRI). Twelve healthy volunteers and 14 patients with right-sided RSI performed a motor imagery task and a passive shoulder motion task. Brain activity was compared between healthy participants and those with RSI and was correlated with the apprehension intensity reported by participants after each task. Compared to healthy volunteers, participants with RSI exhibited decreased brain activity in the motor network, but increased activity in the hippocampus and amygdala. During the passive motion task, participants with RSI exhibited decreased activity in the left premotor and primary motor/somatosensory areas. Furthermore, brain activity was correlated with apprehension intensity in the left amygdala and left thalamus during the motor imagery task (memory-induced), while a correlation between apprehension intensity and brain activity was found in the left prefrontal cortex during the passive motion task (instability-induced). Our findings provide insight into the pathophysiology of RSI by identifying its associated neural alterations. We elucidated that shoulder apprehension was induced by two different factors, namely instability and memory. PMID:26351854

  4. Detrended Partial-Cross-Correlation Analysis: A New Method for Analyzing Correlations in Complex System

    PubMed Central

    Yuan, Naiming; Fu, Zuntao; Zhang, Huan; Piao, Lin; Xoplaki, Elena; Luterbacher, Juerg

    2015-01-01

    In this paper, a new method, detrended partial-cross-correlation analysis (DPCCA), is proposed. Based on detrended cross-correlation analysis (DCCA), this method is improved by including partial-correlation technique, which can be applied to quantify the relations of two non-stationary signals (with influences of other signals removed) on different time scales. We illustrate the advantages of this method by performing two numerical tests. Test I shows the advantages of DPCCA in handling non-stationary signals, while Test II reveals the “intrinsic” relations between two considered time series with potential influences of other unconsidered signals removed. To further show the utility of DPCCA in natural complex systems, we provide new evidence on the winter-time Pacific Decadal Oscillation (PDO) and the winter-time Nino3 Sea Surface Temperature Anomaly (Nino3-SSTA) affecting the Summer Rainfall over the middle-lower reaches of the Yangtze River (SRYR). By applying DPCCA, better significant correlations between SRYR and Nino3-SSTA on time scales of 6 ~ 8 years are found over the period 1951 ~ 2012, while significant correlations between SRYR and PDO on time scales of 35 years arise. With these physically explainable results, we have confidence that DPCCA is an useful method in addressing complex systems. PMID:25634341

  5. Characterizing Intra-Die Spatial Correlation Using Spectral Density Fitting Method

    NASA Astrophysics Data System (ADS)

    Fu, Qiang; Luk, Wai-Shing; Tao, Jun; Yan, Changhao; Zeng, Xuan

    In this paper, a spectral domain method named the SDF (Spectral Density Fitting) method for intra-die spatial correlation function extraction is presented. Based on theoretical analysis of random field, the spectral density, as the spectral domain counterpart of correlation function, is employed to estimate the parameters of the correlation function effectively in the spectral domain. Compared with the existing extraction algorithm in the original spatial domain, the SDF method can obtain the same quality of results in the spectral domain. In actual measurement process, the unavoidable measurement error with arbitrary frequency components would greatly confound the extraction results. A filtering technique is further developed to diminish the high frequency components of the measurement error and recover the data from noise contamination for parameter estimation. Experimental results have shown that the SDF method is practical and stable.

  6. Quantifying local exciton, charge resonance, and multiexciton character in correlated wave functions of multichromophoric systems

    NASA Astrophysics Data System (ADS)

    Casanova, David; Krylov, Anna I.

    2016-01-01

    A new method for quantifying the contributions of local excitation, charge resonance, and multiexciton configurations in correlated wave functions of multichromophoric systems is presented. The approach relies on fragment-localized orbitals and employs spin correlators. Its utility is illustrated by calculations on model clusters of hydrogen, ethylene, and tetracene molecules using adiabatic restricted-active-space configuration interaction wave functions. In addition to the wave function analysis, this approach provides a basis for a simple state-specific energy correction accounting for insufficient description of electron correlation. The decomposition scheme also allows one to compute energies of the diabatic states of the local excitonic, charge-resonance, and multi-excitonic character. The new method provides insight into electronic structure of multichromophoric systems and delivers valuable reference data for validating excitonic models.

  7. Distance correlation methods for discovering associations in large astrophysical databases

    SciTech Connect

    Martínez-Gómez, Elizabeth; Richards, Mercedes T.; Richards, Donald St. P. E-mail: mrichards@astro.psu.edu

    2014-01-20

    High-dimensional, large-sample astrophysical databases of galaxy clusters, such as the Chandra Deep Field South COMBO-17 database, provide measurements on many variables for thousands of galaxies and a range of redshifts. Current understanding of galaxy formation and evolution rests sensitively on relationships between different astrophysical variables; hence an ability to detect and verify associations or correlations between variables is important in astrophysical research. In this paper, we apply a recently defined statistical measure called the distance correlation coefficient, which can be used to identify new associations and correlations between astrophysical variables. The distance correlation coefficient applies to variables of any dimension, can be used to determine smaller sets of variables that provide equivalent astrophysical information, is zero only when variables are independent, and is capable of detecting nonlinear associations that are undetectable by the classical Pearson correlation coefficient. Hence, the distance correlation coefficient provides more information than the Pearson coefficient. We analyze numerous pairs of variables in the COMBO-17 database with the distance correlation method and with the maximal information coefficient. We show that the Pearson coefficient can be estimated with higher accuracy from the corresponding distance correlation coefficient than from the maximal information coefficient. For given values of the Pearson coefficient, the distance correlation method has a greater ability than the maximal information coefficient to resolve astrophysical data into highly concentrated horseshoe- or V-shapes, which enhances classification and pattern identification. These results are observed over a range of redshifts beyond the local universe and for galaxies from elliptical to spiral.

  8. Spectral functions of strongly correlated extended systems via an exact quantum embedding

    NASA Astrophysics Data System (ADS)

    Booth, George H.; Chan, Garnet Kin-Lic

    2015-04-01

    Density matrix embedding theory (DMET) [Phys. Rev. Lett. 109, 186404 (2012), 10.1103/PhysRevLett.109.186404], introduced an approach to quantum cluster embedding methods whereby the mapping of strongly correlated bulk problems to an impurity with finite set of bath states was rigorously formulated to exactly reproduce the entanglement of the ground state. The formalism provided similar physics to dynamical mean-field theory at a tiny fraction of the cost but was inherently limited by the construction of a bath designed to reproduce ground-state, static properties. Here, we generalize the concept of quantum embedding to dynamic properties and demonstrate accurate bulk spectral functions at similarly small computational cost. The proposed spectral DMET utilizes the Schmidt decomposition of a response vector, mapping the bulk dynamic correlation functions to that of a quantum impurity cluster coupled to a set of frequency-dependent bath states. The resultant spectral functions are obtained on the real-frequency axis, without bath discretization error, and allows for the construction of arbitrary dynamic correlation functions. We demonstrate the method on the one- (1D) and two-dimensional (2D) Hubbard model, where we obtain zero temperature and thermodynamic limit spectral functions, and show the trivial extension to two-particle Green's functions. This advance therefore extends the scope and applicability of DMET in condensed-matter problems as a computationally tractable route to correlated spectral functions of extended systems and provides a competitive alternative to dynamical mean-field theory for dynamic quantities.

  9. Relaxation method of compensation in an optical correlator

    NASA Technical Reports Server (NTRS)

    Juday, Richard D.; Daiuto, Brian J.

    1987-01-01

    An iterative method is proposed for the sharpening of programmable filters in a 4-f optical correlator. Continuously variable spatial light modulators (SLMs) permit the fine adjustment of optical processing filters so as to compensate for the departures from ideal behavior of a real optical system. Although motivated by the development of continuously variable phase-only SLMs, the proposed sharpening method is also applicable to amplitude modulators and, with appropriate adjustments, to binary modulators as well. A computer simulation is presented that illustrates the potential effectiveness of the method: an image is placed on the input to the correlator, and its corresponding phase-only filter is adjusted (allowed to relax) so as to produce a progressively brighter and more centralized peak in the correlation plane. The technique is highly robust against the form of the system's departure from ideal behavior.

  10. Brains online: structural and functional correlates of habitual Internet use.

    PubMed

    Kühn, Simone; Gallinat, Jürgen

    2015-03-01

    In the past decades, the Internet has become one of the most important tools to gather information and communicate with other people. Excessive use is a growing concern of health practitioners. Based on the assumption that excessive Internet use bears resemblance with addictive behaviour, we hypothesized alterations of the fronto-striatal network in frequent users. On magnetic resonance imaging scans of 62 healthy male adults, we computed voxel-based morphometry to identify grey matter (GM) correlates of excessive Internet use, assessed by means of the Internet Addiction Test (IAT) and functional connectivity analysis and amplitude of low-frequency fluctuation (ALFF) measures on resting state data to explore the functional networks associated with structural alterations. We found a significant negative association between the IAT score and right frontal pole GM volume (P < 0.001, family wise error corrected). Functional connectivity of right frontal pole to left ventral striatum was positively associated with higher IAT scores. Furthermore, the IAT score was positively correlated to ALFF in bilateral ventral striatum. The alterations in the fronto-striatal circuitry associated with growing IAT scores could reflect a reduction of top-down modulation of prefrontal areas, in particular, the ability to maintain long-term goals in face of distraction. The higher activation of ventral striatum at rest may indicate a constant activation in the context of a diminished prefrontal control. The results demonstrate that excessive Internet use may be driven by neuronal circuits relevant for addictive behaviour.

  11. Finite volume form factors and correlation functions at finite temperature

    NASA Astrophysics Data System (ADS)

    Pozsgay, Balázs

    2009-07-01

    In this thesis we investigate finite size effects in 1+1 dimensional integrable QFT. In particular we consider matrix elements of local operators (finite volume form factors) and vacuum expectation values and correlation functions at finite temperature. In the first part of the thesis we give a complete description of the finite volume form factors in terms of the infinite volume form factors (solutions of the bootstrap program) and the S-matrix of the theory. The calculations are correct to all orders in the inverse of the volume, only exponentially decaying (residual) finite size effects are neglected. We also consider matrix elements with disconnected pieces and determine the general rule for evaluating such contributions in a finite volume. The analytic results are tested against numerical data obtained by the truncated conformal space approach in the Lee-Yang model and the Ising model in a magnetic field. In a separate section we also evaluate the leading exponential correction (the μ-term) associated to multi-particle energies and matrix elements. In the second part of the thesis we show that finite volume factors can be used to derive a systematic low-temperature expansion for correlation functions at finite temperature. In the case of vacuum expectation values the series is worked out up to the third non-trivial order and a complete agreement with the LeClair-Mussardo formula is observed. A preliminary treatment of the two-point function is also given by considering the first nontrivial contributions.

  12. Noise cross correlation functions in a noisy region

    NASA Astrophysics Data System (ADS)

    Gaudot, I.; Beucler, E.; Mocquet, A.; Schimmel, M.; Le Feuvre, M.; Leparoux, D.; Côte, P.

    2013-12-01

    The geology of the western France can be roughly split into two main domains: the Armorican massif that contains imprints of the old Cadomian and Variscan orogens; and the Bay of Biscay which present signatures of more recent tectonic events closely related to the opening of North Atlantic ocean. Due to the lack of seismic stations deployment, it exists very few pictures of the deep structures below the Armorican Massif and the Bay of Biscay. Recently, a broadband array of seismometers has been deployed over the south and west of France, providing a good opportunity to get reliable images at depth. Since the region is surrounded by the seas, the seismic ambient noise tomography technique has been proposed to reveal the crustal and uppermost mantle features beneath this area. The first step consists in the computation of noise correlation functions (NCFs) between each station pairs. The ability to obtain empirical Green's functions from NCFs relies on the efficiency of the randomization. Classic ambient noise tomography studies use long-time series (typically several months) to help the randomization including all the scattering effects due to Earth's heterogeneities. However, additionnal signal processing steps such as temporal and/or spectral whitening are most often required for the signals to be representative of a random wavefield. These techniques rely on nonlinear operations which corrupt the integrity of the original record. In the literature, alternatives have been proposed to avoid, at least partially, such non linear operations. One of them is the instantaneous phase cross correlation (PCC). This correlation technique is intrinsically little sensitive to large amplitude transient signals. Using a set of data from a temporary broad band array, we explore the features of the PCC as compared to the time domain geometrically normalized cross correlation (CCGN). In the 0.02Hz-1Hz frequency band, different time series are extracted to investigate the effects of

  13. Communication: importance sampling including path correlation in semiclassical initial value representation calculations for time correlation functions.

    PubMed

    Pan, Feng; Tao, Guohua

    2013-03-01

    Full semiclassical (SC) initial value representation (IVR) for time correlation functions involves a double phase space average over a set of two phase points, each of which evolves along a classical path. Conventionally, the two initial phase points are sampled independently for all degrees of freedom (DOF) in the Monte Carlo procedure. Here, we present an efficient importance sampling scheme by including the path correlation between the two initial phase points for the bath DOF, which greatly improves the performance of the SC-IVR calculations for large molecular systems. Satisfactory convergence in the study of quantum coherence in vibrational relaxation has been achieved for a benchmark system-bath model with up to 21 DOF.

  14. The Intermediate Scattering Function in Fluorescence Correlation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Guerra, Rodrigo; Andrews, Ballard; Sen, Pabitra

    2006-03-01

    We formulate the autocorrelation function for Fluorescence Correlation Spectroscopy (FCS) GD(τ) in reciprocal space in terms of the of the Intermediate Scattering Function ISF(k,t) and the fourier transform of the Optical Response Function ORF(k). In this way we may extend the use of FCS to processes that have been studied using NMR, DLS, and neutron scattering. This formalism is useful for the complicated propagators involved in confined systems and in the study of diffusion in cells: where diffusion is either restricted or permeation through membrane is important. Calculations in k-space produce approximate expressions for the ORF using cumulant expansions that are accurate for small wavevectors. This provides descriptions for longer timescales better suited for studying time-dependent diffusion ISF(k,t)->exp[-tD(t)k^2] and provides a natural separation of contributions from system dynamics and from optical artifacts and aberrations. We will show an explicit derivation of a semi-analytical fit function for free diffusion based on standard electromagnetic analysis of a confocal optical apparatus. This fit function is then used to analyze a representative data set and has no free fit parameters other than the diffusion constant.

  15. Functional connectivity correlates of response inhibition impairment in anorexia nervosa.

    PubMed

    Collantoni, Enrico; Michelon, Silvia; Tenconi, Elena; Degortes, Daniela; Titton, Francesca; Manara, Renzo; Clementi, Maurizio; Pinato, Claudia; Forzan, Monica; Cassina, Matteo; Santonastaso, Paolo; Favaro, Angela

    2016-01-30

    Anorexia nervosa (AN) is a disorder characterized by high levels of cognitive control and behavioral perseveration. The present study aims at exploring inhibitory control abilities and their functional connectivity correlates in patients with AN. Inhibitory control - an executive function that allows the realization of adaptive behavior according to environmental contingencies - has been assessed by means of the Stop-Signal paradigm. The study involved 155 patients with lifetime AN and 102 healthy women. A subsample underwent resting-state functional magnetic resonance imaging and was genotyped for COMT and 5-HTTLPR polymorphisms. AN patients showed an impaired response inhibition and a disruption of the functional connectivity of the ventral attention circuit, a neural network implicated in behavioral response when a stimulus occurs unexpected. The 5-HTTLPR genotype appears to significantly interact with the functional connectivity of ventral attention network in explaining task performance in both patients and controls, suggesting a role of the serotoninergic system in mechanisms of response selection. The disruption of the ventral attention network in patients with AN suggests lower efficiency of bottom-up signal filtering, which might be involved in difficulties to adapt behavioral responses to environmental needs. Our findings deserve further research to confirm their scientific and therapeutic implications.

  16. Pion correlations as a function of atomic mass in heavy ion collisions

    SciTech Connect

    Chacon, A.D.

    1989-11-26

    The method of two pion interferometry was used to obtain source-size and lifetime parameters for the pions produced in heavy ion collisions. The systems used were 1.70 {center dot} A GeV {sup 56}Fe + Fe, 1.82 {center dot} A GeV {sup 40}Ar + KCl and 1.54 {center dot} A GeV {sup 93}Nb + Nb, allowing for a search for dependences on the atomic number. Two acceptances (centered, in the lab., at {approximately} 0{degrees} and 45{degrees}) were used for each system, allowing a search for dependences on the viewing angle. The correlation functions were calculated by comparing the data samples to background (or reference) samples made using the method of event mixing, where pions from different events are combined to produce a data sample in which the Bose-Einstein correlation effect is absent. The effect of the correlation function on the background samples is calculated, and a method for weighting the events to remove the residual correlation effect is presented. The effect of the spectrometer design on the measured correlation functions is discussed, as are methods for correcting for these effects during the data analysis. 58 refs., 39 figs., 18 tabs.

  17. Interspecies activity correlations reveal functional correspondence between monkey and human brain areas.

    PubMed

    Mantini, Dante; Hasson, Uri; Betti, Viviana; Perrucci, Mauro G; Romani, Gian Luca; Corbetta, Maurizio; Orban, Guy A; Vanduffel, Wim

    2012-02-05

    Evolution-driven functional changes in the primate brain are typically assessed by aligning monkey and human activation maps using cortical surface expansion models. These models use putative homologous areas as registration landmarks, assuming they are functionally correspondent. For cases in which functional changes have occurred in an area, this assumption prohibits to reveal whether other areas may have assumed lost functions. Here we describe a method to examine functional correspondences across species. Without making spatial assumptions, we assessed similarities in sensory-driven functional magnetic resonance imaging responses between monkey (Macaca mulatta) and human brain areas by temporal correlation. Using natural vision data, we revealed regions for which functional processing has shifted to topologically divergent locations during evolution. We conclude that substantial evolution-driven functional reorganizations have occurred, not always consistent with cortical expansion processes. This framework for evaluating changes in functional architecture is crucial to building more accurate evolutionary models.

  18. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

    NASA Astrophysics Data System (ADS)

    Wellendorff, Jess; Lundgaard, Keld T.; Møgelhøj, Andreas; Petzold, Vivien; Landis, David D.; Nørskov, Jens K.; Bligaard, Thomas; Jacobsen, Karsten W.

    2012-06-01

    A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfitting found when standard least-squares methods are applied to high-order polynomial expansions. A general-purpose density functional for surface science and catalysis studies should accurately describe bond breaking and formation in chemistry, solid state physics, and surface chemistry, and should preferably also include van der Waals dispersion interactions. Such a functional necessarily compromises between describing fundamentally different types of interactions, making transferability of the density functional approximation a key issue. We investigate this trade-off between describing the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error estimation functional with van der Waals correlation (BEEF-vdW), a semilocal approximation with an additional nonlocal correlation term. Furthermore, an ensemble of functionals around BEEF-vdW comes out naturally, offering an estimate of the computational error. An extensive assessment on a range of data sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this.

  19. Dynamical correlation functions of the 1D Bose gas (Lieb Liniger model)

    NASA Astrophysics Data System (ADS)

    Caux, Jean-Sebastien; Calabrese, Pasquale

    2007-03-01

    The momentum- and frequency-dependent correlation functions (one-body and density-density) of the one-dimensional interacting Bose gas (Lieb-Liniger model) are obtained for any value (repulsive or attractive) of the interaction parameter. In the repulsive regime, we use the Algebraic Bethe Ansatz and the ABACUS method to reconstruct the correlators to high accuracy for systems with finite but large numbers of particles. For attractive interactions, the correlations are computed analytically. Our results are discussed, with particular emphasis on their applications to quasi-one-dimensional atomic gases.

  20. Omega from the anisotropy of the redshift correlation function

    NASA Technical Reports Server (NTRS)

    Hamilton, A. J. S.

    1993-01-01

    Peculiar velocities distort the correlation function of galaxies observed in redshift space. In the large scale, linear regime, the distortion takes a characteristic quadrupole plus hexadecapole form, with the amplitude of the distortion depending on the cosmological density parameter omega. Preliminary measurements are reported here of the harmonics of the correlation function in the CfA, SSRS, and IRAS 2 Jansky redshift surveys. The observed behavior of the harmonics agrees qualitatively with the predictions of linear theory on large scales in every survey. However, real anisotropy in the galaxy distribution induces large fluctuations in samples which do not yet probe a sufficiently fair volume of the Universe. In the CfA 14.5 sample in particular, the Great Wall induces a large negative quadrupole, which taken at face value implies an unrealistically large omega 20. The IRAS 2 Jy survey, which covers a substantially larger volume than the optical surveys and is less affected by fingers-of-god, yields a more reliable and believable value, omega = 0.5 sup +.5 sub -.25.

  1. Course 4: Density Functional Theory, Methods, Techniques, and Applications

    NASA Astrophysics Data System (ADS)

    Chrétien, S.; Salahub, D. R.

    Contents 1 Introduction 2 Density functional theory 2.1 Hohenberg and Kohn theorems 2.2 Levy's constrained search 2.3 Kohn-Sham method 3 Density matrices and pair correlation functions 4 Adiabatic connection or coupling strength integration 5 Comparing and constrasting KS-DFT and HF-CI 6 Preparing new functionals 7 Approximate exchange and correlation functionals 7.1 The Local Spin Density Approximation (LSDA) 7.2 Gradient Expansion Approximation (GEA) 7.3 Generalized Gradient Approximation (GGA) 7.4 meta-Generalized Gradient Approximation (meta-GGA) 7.5 Hybrid functionals 7.6 The Optimized Effective Potential method (OEP) 7.7 Comparison between various approximate functionals 8 LAP correlation functional 9 Solving the Kohn-Sham equations 9.1 The Kohn-Sham orbitals 9.2 Coulomb potential 9.3 Exchange-correlation potential 9.4 Core potential 9.5 Other choices and sources of error 9.6 Functionality 10 Applications 10.1 Ab initio molecular dynamics for an alanine dipeptide model 10.2 Transition metal clusters: The ecstasy, and the agony... 10.3 The conversion of acetylene to benzene on Fe clusters 11 Conclusions

  2. An Explicitly Correlated Wavelet Method for the Electronic Schroedinger Equation

    SciTech Connect

    Bachmayr, Markus

    2010-09-30

    A discretization for an explicitly correlated formulation of the electronic Schroedinger equation based on hyperbolic wavelets and exponential sum approximations of potentials is described, covering mathematical results as well as algorithmic realization, and discussing in particular the potential of methods of this type for parallel computing.

  3. Insights on why graphic correlation (Shaw's method) works.

    USGS Publications Warehouse

    Edwards, L.E.

    1984-01-01

    In 1964 A.B.Shaw presented a method of correlating fossilferous sedimentary rocks based on interpretation of graphic plots of first- and last-occurrences of taxa. Because there is no way to determine the true total ranges of fossil taxa, it is instructive to test the accuracy of the method using hypothetical datasets. The dataset used here consists of 16 taxa in six sections with differing known rates of rock accumulation. In all graphs, a single straight-line correlation was a reasonable interpretation. The resulting ranges after the first and third rounds of compositing reproduce the 'true' ranges but with small errors. Slight errors in the positioning of individual correlation lines are more likely to lengthen ranges artificially than to shorten them. Shaw's method works well because, whereas actually sampled ranges will be shorter than true ranges, errors in correlation will be likely to extend some ranges. This or any exercise using simulated data is useful only if the hypothetical situation resembles real geologic situations and if insights derived from the hypothetical dataset provide insights into real situations. The method is only as good as the available data. -Author

  4. Correlated SEM, FIB-SEM, TEM, and NanoSIMS imaging of microbes from the hindgut of a lower termite: methods for in situ functional and ecological studies of uncultivable microbes.

    PubMed

    Carpenter, Kevin J; Weber, Peter K; Davisson, M Lee; Pett-Ridge, Jennifer; Haverty, Michael I; Keeling, Patrick J

    2013-12-01

    The hindguts of lower termites harbor highly diverse, endemic communities of symbiotic protists, bacteria, and archaea essential to the termite's ability to digest wood. Despite over a century of experimental studies, ecological roles of many of these microbes are unknown, partly because almost none can be cultivated. Many of the protists associate with bacterial symbionts, but hypotheses for their respective roles in nutrient exchange are based on genomes of only two such bacteria. To show how the ecological roles of protists and nutrient transfer with symbiotic bacteria can be elucidated by direct imaging, we combined stable isotope labeling (13C-cellulose) of live termites with analysis of fixed hindgut microbes using correlated scanning electron microscopy, focused ion beam-scanning electron microscopy (FIB-SEM), transmission electron microscopy, and high resolution imaging mass spectrometry (NanoSIMS). We developed methods to prepare whole labeled cells on solid substrates, whole labeled cells milled with a FIB-SEM instrument to reveal cell interiors, and ultramicrotome sections of labeled cells for NanoSIMS imaging of 13C enrichment in protists and associated bacteria. Our results show these methods have the potential to provide direct evidence for nutrient flow and suggest the oxymonad protist Oxymonas dimorpha phagocytoses and enzymatically degrades ingested wood fragments, and may transfer carbon derived from this to its surface bacterial symbionts. PMID:24119340

  5. Correlated SEM, FIB-SEM, TEM, and NanoSIMS imaging of microbes from the hindgut of a lower termite: methods for in situ functional and ecological studies of uncultivable microbes.

    PubMed

    Carpenter, Kevin J; Weber, Peter K; Davisson, M Lee; Pett-Ridge, Jennifer; Haverty, Michael I; Keeling, Patrick J

    2013-12-01

    The hindguts of lower termites harbor highly diverse, endemic communities of symbiotic protists, bacteria, and archaea essential to the termite's ability to digest wood. Despite over a century of experimental studies, ecological roles of many of these microbes are unknown, partly because almost none can be cultivated. Many of the protists associate with bacterial symbionts, but hypotheses for their respective roles in nutrient exchange are based on genomes of only two such bacteria. To show how the ecological roles of protists and nutrient transfer with symbiotic bacteria can be elucidated by direct imaging, we combined stable isotope labeling (13C-cellulose) of live termites with analysis of fixed hindgut microbes using correlated scanning electron microscopy, focused ion beam-scanning electron microscopy (FIB-SEM), transmission electron microscopy, and high resolution imaging mass spectrometry (NanoSIMS). We developed methods to prepare whole labeled cells on solid substrates, whole labeled cells milled with a FIB-SEM instrument to reveal cell interiors, and ultramicrotome sections of labeled cells for NanoSIMS imaging of 13C enrichment in protists and associated bacteria. Our results show these methods have the potential to provide direct evidence for nutrient flow and suggest the oxymonad protist Oxymonas dimorpha phagocytoses and enzymatically degrades ingested wood fragments, and may transfer carbon derived from this to its surface bacterial symbionts.

  6. Probing the twist-3 multi-gluon correlation functions by p↑p → DX

    NASA Astrophysics Data System (ADS)

    Koike, Yuji; Yoshida, Shinsuke

    2011-05-01

    We study the single spin asymmetry (SSA) for the D-meson production ADN in the pp collision, p↑p → DX in the framework of the collinear factorization. Since the charm quark is mainly produced through the cbar c-pair creation from the gluon-fusion process, this is an ideal process to probe the twist-3 triple-gluon correlation functions in the polarized nucleon. We derive the corresponding cross section formula for the contribution of the triple-gluon correlation function to ADN in p↑p → DX, applying the method developed for ep↑ → eDX in our previous study. As in the case of ep↑ → eDX, our result differs from a previous study in the literature.We will also present a simple estimate of the triple-gluon correlation functions based on the preliminary data on ADN by RHIC.

  7. Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions.

    PubMed

    Van Raemdonck, Mario; Alcoba, Diego R; Poelmans, Ward; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Van Neck, Dimitri; Bultinck, Patrick

    2015-09-14

    A class of polynomial scaling methods that approximate Doubly Occupied Configuration Interaction (DOCI) wave functions and improve the description of dynamic correlation is introduced. The accuracy of the resulting wave functions is analysed by comparing energies and studying the overlap between the newly developed methods and full configuration interaction wave functions, showing that a low energy does not necessarily entail a good approximation of the exact wave function. Due to the dependence of DOCI wave functions on the single-particle basis chosen, several orbital optimisation algorithms are introduced. An energy-based algorithm using the simulated annealing method is used as a benchmark. As a computationally more affordable alternative, a seniority number minimising algorithm is developed and compared to the energy based one revealing that the seniority minimising orbital set performs well. Given a well-chosen orbital basis, it is shown that the newly developed DOCI based wave functions are especially suitable for the computationally efficient description of static correlation and to lesser extent dynamic correlation.

  8. Multi-configurational explicitly correlated wave functions for the study of confined many electron atoms

    NASA Astrophysics Data System (ADS)

    Sarsa, A.; Buendía, E.; Gálvez, F. J.

    2016-07-01

    Explicitly correlated wave functions to study confined atoms under impenetrable spherical walls have been obtained. Configuration mixing and a correlation factor are included in the variational ansatz. The behaviors of the ground state and some low-lying excited states of He, Be, B and C atoms with the confinement size are analyzed. Level crossing with confinement is found for some cases. This effect is analyzed in terms of the single particle energy of the occupied orbitals. The multi-configuration parameterized optimized effective potential method is employed with a cut-off factor to account for Dirichlet boundary conditions. The variational Monte Carlo method is used to deal with explicitly correlated wave functions.

  9. A robust correlation method to detect heterogeneous heart valve symptoms

    NASA Astrophysics Data System (ADS)

    Suboh, Mohd Zubir; Mansor, Muhammad Naufal; Junoh, Ahmad Kadri; Daud, Wan Suhana Wan; Muhamad, Wan Zuki Azman Wan; Idris, Azrini

    2015-05-01

    Heart valve disease affects a large number of patients. During the past decade, major advances have occurred in diagnostic techniques of heart valve disease. In this paper, we present an alternative method in classifying heart valve disease using correlation analysis and neural network classifier based on heart sound signal. The heart sound signals used in this study were taken from heart sound manipulator software. First, the signal was converted into frequency domain. Then, power spectrum of the sample is determined and cross-correlated with a reference sample (also in power spectrum form) to get different pattern of correlation plot. Seven different heart sounds of normal and other abnormal sounds from heart valve disease were classified into their classes. The result shows that 98.70% of the samples had been correctly classified by the system.

  10. Fish functional traits correlated with environmental variables in a temperate biodiversity hotspot.

    PubMed

    Keck, Benjamin P; Marion, Zachary H; Martin, Derek J; Kaufman, Jason C; Harden, Carol P; Schwartz, John S; Strange, Richard J

    2014-01-01

    The global biodiversity crisis has invigorated the search for generalized patterns in most disciplines within the natural sciences. Studies based on organismal functional traits attempt to broaden implications of results by identifying the response of functional traits, instead of taxonomic units, to environmental variables. Determining the functional trait responses enables more direct comparisons with, or predictions for, communities of different taxonomic composition. The North American freshwater fish fauna is both diverse and increasingly imperiled through human mediated disturbances, including climate change. The Tennessee River, USA, contains one of the most diverse assemblages of freshwater fish in North America and has more imperiled species than other rivers, but there has been no trait-based study of community structure in the system. We identified 211 localities in the upper Tennessee River that were sampled by the Tennessee Valley Authority between 2009 and 2011 and compiled fish functional traits for the observed species and environmental variables for each locality. Using fourth corner analysis, we identified significant correlations between many fish functional traits and environmental variables. Functional traits associated with an opportunistic life history strategy were correlated with localities subject to greater land use disturbance and less flow regulation, while functional traits associated with a periodic life history strategy were correlated with localities subject to regular disturbance and regulated flow. These are patterns observed at the continental scale, highlighting the generalizability of trait-based methods. Contrary to studies that found no community structure differences when considering riparian buffer zones, we found that fish functional traits were correlated with different environmental variables between analyses with buffer zones vs. entire catchment area land cover proportions. Using existing databases and fourth corner

  11. Fish Functional Traits Correlated with Environmental Variables in a Temperate Biodiversity Hotspot

    PubMed Central

    Keck, Benjamin P.; Marion, Zachary H.; Martin, Derek J.; Kaufman, Jason C.; Harden, Carol P.; Schwartz, John S.; Strange, Richard J.

    2014-01-01

    The global biodiversity crisis has invigorated the search for generalized patterns in most disciplines within the natural sciences. Studies based on organismal functional traits attempt to broaden implications of results by identifying the response of functional traits, instead of taxonomic units, to environmental variables. Determining the functional trait responses enables more direct comparisons with, or predictions for, communities of different taxonomic composition. The North American freshwater fish fauna is both diverse and increasingly imperiled through human mediated disturbances, including climate change. The Tennessee River, USA, contains one of the most diverse assemblages of freshwater fish in North America and has more imperiled species than other rivers, but there has been no trait-based study of community structure in the system. We identified 211 localities in the upper Tennessee River that were sampled by the Tennessee Valley Authority between 2009 and 2011 and compiled fish functional traits for the observed species and environmental variables for each locality. Using fourth corner analysis, we identified significant correlations between many fish functional traits and environmental variables. Functional traits associated with an opportunistic life history strategy were correlated with localities subject to greater land use disturbance and less flow regulation, while functional traits associated with a periodic life history strategy were correlated with localities subject to regular disturbance and regulated flow. These are patterns observed at the continental scale, highlighting the generalizability of trait-based methods. Contrary to studies that found no community structure differences when considering riparian buffer zones, we found that fish functional traits were correlated with different environmental variables between analyses with buffer zones vs. entire catchment area land cover proportions. Using existing databases and fourth corner

  12. Patching the Exchange-Correlation Potential in Density Functional Theory.

    PubMed

    Huang, Chen

    2016-05-10

    A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.

  13. A maximum likelihood approach to estimating correlation functions

    SciTech Connect

    Baxter, Eric Jones; Rozo, Eduardo

    2013-12-10

    We define a maximum likelihood (ML for short) estimator for the correlation function, ξ, that uses the same pair counting observables (D, R, DD, DR, RR) as the standard Landy and Szalay (LS for short) estimator. The ML estimator outperforms the LS estimator in that it results in smaller measurement errors at any fixed random point density. Put another way, the ML estimator can reach the same precision as the LS estimator with a significantly smaller random point catalog. Moreover, these gains are achieved without significantly increasing the computational requirements for estimating ξ. We quantify the relative improvement of the ML estimator over the LS estimator and discuss the regimes under which these improvements are most significant. We present a short guide on how to implement the ML estimator and emphasize that the code alterations required to switch from an LS to an ML estimator are minimal.

  14. Functional cortical network in alpha band correlates with social bargaining.

    PubMed

    Billeke, Pablo; Zamorano, Francisco; Chavez, Mario; Cosmelli, Diego; Aboitiz, Francisco

    2014-01-01

    Solving demanding tasks requires fast and flexible coordination among different brain areas. Everyday examples of this are the social dilemmas in which goals tend to clash, requiring one to weigh alternative courses of action in limited time. In spite of this fact, there are few studies that directly address the dynamics of flexible brain network integration during social interaction. To study the preceding, we carried out EEG recordings while subjects played a repeated version of the Ultimatum Game in both human (social) and computer (non-social) conditions. We found phase synchrony (inter-site-phase-clustering) modulation in alpha band that was specific to the human condition and independent of power modulation. The strength and patterns of the inter-site-phase-clustering of the cortical networks were also modulated, and these modulations were mainly in frontal and parietal regions. Moreover, changes in the individuals' alpha network structure correlated with the risk of the offers made only in social conditions. This correlation was independent of changes in power and inter-site-phase-clustering strength. Our results indicate that, when subjects believe they are participating in a social interaction, a specific modulation of functional cortical networks in alpha band takes place, suggesting that phase synchrony of alpha oscillations could serve as a mechanism by which different brain areas flexibly interact in order to adapt ongoing behavior in socially demanding contexts.

  15. [Correlations of consciousness and the default function of the brain].

    PubMed

    Gyulaházi, Judit; Varga, Katalin

    2014-01-30

    Neural correlation with consciousness represents a main topic of neuroscience studies. New results of consciousness researches proved that based on a coherent function in between its components the default mode network activity is the condition for awake consciousness. The subject of consciousness is self. Tasks related with the self were proving a high default mode network activity. Using connections inside the network, results which were related with self, could be considered to represent a polymodal integration system are they are participating in fine processing of the highly integrated associative information. It could be a result of the convergence of cognitive binding. There is a strong connection between the level of consciousness and praecuneal activation. It was proved that the network activity is changing during sleeping (normal condition), trauma or under drug induced altered consciousness. The default network activity can be considered as the neural correlate of consciousness. Further researches are warranted to answer the question: is the activity of the network the cause or is just accompanying the development of human consciousness?

  16. Functional Cortical Network in Alpha Band Correlates with Social Bargaining

    PubMed Central

    Billeke, Pablo; Zamorano, Francisco; Chavez, Mario; Cosmelli, Diego; Aboitiz, Francisco

    2014-01-01

    Solving demanding tasks requires fast and flexible coordination among different brain areas. Everyday examples of this are the social dilemmas in which goals tend to clash, requiring one to weigh alternative courses of action in limited time. In spite of this fact, there are few studies that directly address the dynamics of flexible brain network integration during social interaction. To study the preceding, we carried out EEG recordings while subjects played a repeated version of the Ultimatum Game in both human (social) and computer (non-social) conditions. We found phase synchrony (inter-site-phase-clustering) modulation in alpha band that was specific to the human condition and independent of power modulation. The strength and patterns of the inter-site-phase-clustering of the cortical networks were also modulated, and these modulations were mainly in frontal and parietal regions. Moreover, changes in the individuals’ alpha network structure correlated with the risk of the offers made only in social conditions. This correlation was independent of changes in power and inter-site-phase-clustering strength. Our results indicate that, when subjects believe they are participating in a social interaction, a specific modulation of functional cortical networks in alpha band takes place, suggesting that phase synchrony of alpha oscillations could serve as a mechanism by which different brain areas flexibly interact in order to adapt ongoing behavior in socially demanding contexts. PMID:25286240

  17. Intra-Die Spatial Correlation Extraction with Maximum Likelihood Estimation Method for Multiple Test Chips

    NASA Astrophysics Data System (ADS)

    Fu, Qiang; Luk, Wai-Shing; Tao, Jun; Zeng, Xuan; Cai, Wei

    In this paper, a novel intra-die spatial correlation extraction method referred to as MLEMTC (Maximum Likelihood Estimation for Multiple Test Chips) is presented. In the MLEMTC method, a joint likelihood function is formulated by multiplying the set of individual likelihood functions for all test chips. This joint likelihood function is then maximized to extract a unique group of parameter values of a single spatial correlation function, which can be used for statistical circuit analysis and design. Moreover, to deal with the purely random component and measurement error contained in measurement data, the spatial correlation function combined with the correlation of white noise is used in the extraction, which significantly improves the accuracy of the extraction results. Furthermore, an LU decomposition based technique is developed to calculate the log-determinant of the positive definite matrix within the likelihood function, which solves the numerical stability problem encountered in the direct calculation. Experimental results have shown that the proposed method is efficient and practical.

  18. A density functional for core-valence correlation energy.

    PubMed

    Ranasinghe, Duminda S; Frisch, Michael J; Petersson, George A

    2015-12-01

    A density functional, εCV-DFT(ρc, ρv), describing the core-valence correlation energy has been constructed as a linear combination of εLY P (corr)(ρc), εV WN5 (corr)(ρc, ρv), εPBE (corr)(ρc, ρv), εSlater (ex)(ρc, ρv), εHCTH (ex)(ρc, ρv), εHF (ex)(ρc, ρv), and FCV-DFTNi,Zi, a function of the nuclear charges. This functional, with 6 adjustable parameters, reproduces (±0.27 kcal/mol rms error) a benchmark set of 194 chemical energy changes including 9 electron affinities, 18 ionization potentials, and 167 total atomization energies covering the first- and second-rows of the periodic table. This is almost twice the rms error (±0.16 kcal/mol) obtained with CCSD(T)/MTsmall calculations, but less than half the rms error (±0.65 kcal/mol) obtained with MP2/GTlargeXP calculations, and somewhat smaller than the rms error (±0.39 kcal/mol) obtained with CCSD/MTsmall calculations. The largest positive and negative errors from εCV-DFT(ρc, ρv) were 0.88 and -0.75 kcal/mol with the set of 194 core-valence energy changes ranging from +3.76 kcal/mol for the total atomization energy of propyne to -9.05 kcal/mol for the double ionization of Mg. Evaluation of the εCV-DFT(ρc, ρv) functional requires less time than a single SCF iteration, and the accuracy is adequate for any model chemistry based on the CCSD(T) level of theory. PMID:26646873

  19. A density functional for core-valence correlation energy

    NASA Astrophysics Data System (ADS)

    Ranasinghe, Duminda S.; Frisch, Michael J.; Petersson, George A.

    2015-12-01

    A density functional, ɛCV-DFT(ρc, ρv), describing the core-valence correlation energy has been constructed as a linear combination of ɛLY Pcorr(ρc), ɛV WN5corr(ρc, ρv), ɛPBEcorr(ρc, ρv), ɛSlaterex(ρc, ρv), ɛHCTHex(ρc, ρv), ɛHFex(ρc, ρv), and F CV -DFT (" separators=" N i , Z i ) , a function of the nuclear charges. This functional, with 6 adjustable parameters, reproduces (±0.27 kcal/mol rms error) a benchmark set of 194 chemical energy changes including 9 electron affinities, 18 ionization potentials, and 167 total atomization energies covering the first- and second-rows of the periodic table. This is almost twice the rms error (±0.16 kcal/mol) obtained with CCSD(T)/MTsmall calculations, but less than half the rms error (±0.65 kcal/mol) obtained with MP2/GTlargeXP calculations, and somewhat smaller than the rms error (±0.39 kcal/mol) obtained with CCSD/MTsmall calculations. The largest positive and negative errors from ɛCV-DFT(ρc, ρv) were 0.88 and -0.75 kcal/mol with the set of 194 core-valence energy changes ranging from +3.76 kcal/mol for the total atomization energy of propyne to -9.05 kcal/mol for the double ionization of Mg. Evaluation of the ɛCV-DFT(ρc, ρv) functional requires less time than a single SCF iteration, and the accuracy is adequate for any model chemistry based on the CCSD(T) level of theory.

  20. Neuromuscular adaptations and correlates of knee functionality following ACL reconstruction.

    PubMed

    Bryant, Adam L; Kelly, Jason; Hohmann, Erik

    2008-01-01

    The objective of this research was to examine the dynamic restraint mechanism by establishing the neuromuscular characteristics of lower extremity muscles in anterior cruciate ligament reconstruction (ACLR) subjects. This study also investigated neuromuscular variables that relate to post-ACLR functional outcome. Thirteen patients having undergone ACLR using the bone patella tendon bone graft at least 6 months prior participated in this study. Knee functionality (0- to 100-point scale) was rated using the Cincinnati Knee Rating System. The median frequency of the electromyographic (EMG) recordings from the vastus medialis (VM) and vastus lateralis (VL) muscles together with the isokinetic quadriceps torque generated in 10 degrees intervals between 80 degrees and 10 degrees knee flexion was determined for the noninvolved and involved limbs. Lower limb musculotendinous stiffness was also assessed for the noninvolved and involved limbs. Limb symmetry indexes were calculated for each of the physiological measures. Compared to the noninvolved limb, the median frequency of the EMG from the involved limb VM and VL muscles was significantly lower as was the quadriceps torque generated at the seven knee flexion intervals. In contrast, musculotendinous stiffness was significantly higher in the involved lower limb compared to the noninvolved limb. Significant, moderate correlations were identified between knee functionality and symmetry indexes for all variables except for the isokinetic quadriceps torque produced between 80 degrees -70 degrees and 20 degrees -10 degrees knee flexion. More functional ACLR subjects demonstrated enhanced motor unit recruitment reflective of less quadriceps muscle fiber atrophy together with increased quadriceps strength and musculotendinous stiffness of the lower limb musculature.

  1. Extension of the spatial autocorrelation (SPAC) method to mixed-component correlations of surface waves

    USGS Publications Warehouse

    Haney, Matthew M.; Mikesell, T. Dylan; van Wijk, Kasper; Nakahara, Hisashi

    2012-01-01

    Using ambient seismic noise for imaging subsurface structure dates back to the development of the spatial autocorrelation (SPAC) method in the 1950s. We present a theoretical analysis of the SPAC method for multicomponent recordings of surface waves to determine the complete 3 × 3 matrix of correlations between all pairs of three-component motions, called the correlation matrix. In the case of isotropic incidence, when either Rayleigh or Love waves arrive from all directions with equal power, the only non-zero off-diagonal terms in the matrix are the vertical–radial (ZR) and radial–vertical (RZ) correlations in the presence of Rayleigh waves. Such combinations were not considered in the development of the SPAC method. The method originally addressed the vertical–vertical (ZZ), RR and TT correlations, hence the name spatial autocorrelation. The theoretical expressions we derive for the ZR and RZ correlations offer additional ways to measure Rayleigh wave dispersion within the SPAC framework. Expanding on the results for isotropic incidence, we derive the complete correlation matrix in the case of generally anisotropic incidence. We show that the ZR and RZ correlations have advantageous properties in the presence of an out-of-plane directional wavefield compared to ZZ and RR correlations. We apply the results for mixed-component correlations to a data set from Akutan Volcano, Alaska and find consistent estimates of Rayleigh wave phase velocity from ZR compared to ZZ correlations. This work together with the recently discovered connections between the SPAC method and time-domain correlations of ambient noise provide further insights into the retrieval of surface wave Green’s functions from seismic noise.

  2. Spectral methods and cluster structure in correlation-based networks

    NASA Astrophysics Data System (ADS)

    Heimo, Tapio; Tibély, Gergely; Saramäki, Jari; Kaski, Kimmo; Kertész, János

    2008-10-01

    We investigate how in complex systems the eigenpairs of the matrices derived from the correlations of multichannel observations reflect the cluster structure of the underlying networks. For this we use daily return data from the NYSE and focus specifically on the spectral properties of weight W=|-δ and diffusion matrices D=W/sj-δ, where C is the correlation matrix and si=∑jW the strength of node j. The eigenvalues (and corresponding eigenvectors) of the weight matrix are ranked in descending order. As in the earlier observations, the first eigenvector stands for a measure of the market correlations. Its components are, to first approximation, equal to the strengths of the nodes and there is a second order, roughly linear, correction. The high ranking eigenvectors, excluding the highest ranking one, are usually assigned to market sectors and industrial branches. Our study shows that both for weight and diffusion matrices the eigenpair analysis is not capable of easily deducing the cluster structure of the network without a priori knowledge. In addition we have studied the clustering of stocks using the asset graph approach with and without spectrum based noise filtering. It turns out that asset graphs are quite insensitive to noise and there is no sharp percolation transition as a function of the ratio of bonds included, thus no natural threshold value for that ratio seems to exist. We suggest that these observations can be of use for other correlation based networks as well.

  3. Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit.

    PubMed

    Zhou, Yongxi; Bahmann, Hilke; Ernzerhof, Matthias

    2015-09-28

    Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials. PMID:26428992

  4. Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit

    SciTech Connect

    Zhou, Yongxi; Ernzerhof, Matthias; Bahmann, Hilke

    2015-09-28

    Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials.

  5. Phase demodulation method from a single fringe pattern based on correlation with a polynomial form.

    PubMed

    Robin, Eric; Valle, Valéry; Brémand, Fabrice

    2005-12-01

    The method presented extracts the demodulated phase from only one fringe pattern. Locally, this method approaches the fringe pattern morphology with the help of a mathematical model. The degree of similarity between the mathematical model and the real fringe is estimated by minimizing a correlation function. To use an optimization process, we have chosen a polynomial form such as a mathematical model. However, the use of a polynomial form induces an identification procedure with the purpose of retrieving the demodulated phase. This method, polynomial modulated phase correlation, is tested on several examples. Its performance, in terms of speed and precision, is presented on very noised fringe patterns. PMID:16353793

  6. Modeling the Galaxy Three-Point Correlation Function

    SciTech Connect

    Marin, Felipe; Wechsler, Risa; Frieman, Joshua A.; Nichol, Robert; /Portsmouth U., ICG

    2007-06-05

    We present new theoretical predictions for the galaxy three-point correlation function (3PCF) using high-resolution dissipationless cosmological simulations of a flat Lambda CDM Universe which resolve galaxy-size halos and subhalos. We create realistic mock galaxy catalogs by assigning luminosities and colors to dark matter halos and subhalos, and we measure the reduced 3PCF as a function of luminosity and color in both real and redshift space. As galaxy luminosity and color are varied, we find small differences in the amplitude and shape dependence of the reduced 3PCF, at a level qualitatively consistent with recent measurements from the SDSS and 2dFGRS. We confirm that discrepancies between previous 3PCF measurements can be explained in part by differences in binning choices. We explore the degree to which a simple local bias model can fit the simulated 3PCF. The agreement between the model predictions and galaxy 3PCF measurements lends further credence to the straightforward association of galaxies with CDM halos and subhalos.

  7. Statistical functions and relevant correlation coefficients of clearness index

    NASA Astrophysics Data System (ADS)

    Pavanello, Diego; Zaaiman, Willem; Colli, Alessandra; Heiser, John; Smith, Scott

    2015-08-01

    This article presents a statistical analysis of the sky conditions, during years from 2010 to 2012, for three different locations: the Joint Research Centre site in Ispra (Italy, European Solar Test Installation - ESTI laboratories), the site of National Renewable Energy Laboratory in Golden (Colorado, USA) and the site of Brookhaven National Laboratories in Upton (New York, USA). The key parameter is the clearness index kT, a dimensionless expression of the global irradiance impinging upon a horizontal surface at a given instant of time. In the first part, the sky conditions are characterized using daily averages, giving a general overview of the three sites. In the second part the analysis is performed using data sets with a short-term resolution of 1 sample per minute, demonstrating remarkable properties of the statistical distributions of the clearness index, reinforced by a proof using fuzzy logic methods. Successively some time-dependent correlations between different meteorological variables are presented in terms of Pearson and Spearman correlation coefficients, and introducing a new one.

  8. Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.

    PubMed

    Habershon, Scott; Braams, Bastiaan J; Manolopoulos, David E

    2007-11-01

    The maximum entropy analytic continuation (MEAC) and ring polymer molecular dynamics (RPMD) methods provide complementary approaches to the calculation of real time quantum correlation functions. RPMD becomes exact in the high temperature limit, where the thermal time betavariant Planck's over 2pi tends to zero and the ring polymer collapses to a single classical bead. MEAC becomes most reliable at low temperatures, where betavariant Planck's over 2pi exceeds the correlation time of interest and the numerical imaginary time correlation function contains essentially all of the information that is needed to recover the real time dynamics. We show here that this situation can be exploited by combining the two methods to give an improved approximation that is better than either of its parts. In particular, the MEAC method provides an ideal way to impose exact moment (or sum rule) constraints on a prior RPMD spectrum. The resulting scheme is shown to provide a practical solution to the "nonlinear operator problem" of RPMD, and to give good agreement with recent exact results for the short-time velocity autocorrelation function of liquid parahydrogen. Moreover these improvements are obtained with little extra effort, because the imaginary time correlation function that is used in the MEAC procedure can be computed at the same time as the RPMD approximation to the real time correlation function. However, there are still some problems involving long-time dynamics for which the RPMD+MEAC combination is inadequate, as we illustrate with an example application to the collective density fluctuations in liquid orthodeuterium. PMID:17994808

  9. Cathodic protection design using the regression and correlation method

    SciTech Connect

    Niembro, A.M.; Ortiz, E.L.G.

    1997-09-01

    A computerized statistical method which calculates the current demand requirement based on potential measurements for cathodic protection systems is introduced. The method uses the regression and correlation analysis of statistical measurements of current and potentials of the piping network. This approach involves four steps: field potential measurements, statistical determination of the current required to achieve full protection, installation of more cathodic protection capacity with distributed anodes around the plant and examination of the protection potentials. The procedure is described and recommendations for the improvement of the existing and new cathodic protection systems are given.

  10. Functional methods for waves in random media

    NASA Technical Reports Server (NTRS)

    Chow, P. L.

    1981-01-01

    Some basic ideas in functional methods for waves in random media are illustrated through a simple random differential equation. These methods are then generalized to solve certain random parabolic equations via an exponential representation given by the Feynman-Kac formula. It is shown that these functional methods are applicable to a number of problems in random wave propagation. They include the forward-scattering approximation in Gaussian white-noise media; the solution of the optical beam propagation problem by a phase-integral method; the high-frequency scattering by bounded random media; and a derivation of approximate moment equations from the functional integral representation.

  11. Functional methods for waves in random media

    NASA Technical Reports Server (NTRS)

    Chow, P. L.

    1981-01-01

    Some basic ideas in functional methods for waves in random media are illustrated through a simple random differential equation. These methods are then generalized to solve certain random parabolic equations via an exponential representation given by the Feynman-Kac formula. It is shown that these functional methods are applicable to a number of problems in random wave propagation. They include the forward-scattering approximation in Gaussian white-noise media; the solution of the optical beam propagation problem by a phase-integral method; the high-frequency scattering by bounded random media, and a derivation of approximate moment equations from the functional integral representation.

  12. Used digital speckle correlation method to measure vibration

    NASA Astrophysics Data System (ADS)

    Yan, Haitao; Zhen, Zhiqiang; Tang, Zhengxin

    2009-11-01

    Used digital speckle correlation method (DSCM) to measure is researched. The experiment is designed and the laser irradiates a PZT which is driven by some signal to obtain the dynamic speckle patterns. The dynamic speckle patterns are shot by CCD, then the DSCM is used to process the sequential images and also the experiment is simulated. The movement of reflection target is controlled by PZT which is driven by the different model signal. When the reflection target is moving, the dynamic speckle patterns are shot by CCD, the sequential images are stored in computer through an image board. Then the digital speckle correlation method is used to process the sequential images. There are three output parameters after the images correlation calculation: (xi ,yi) and α that represent for position and moving direction of the object, Initial (xi ,yi) is (0,0). (▵xi , ▵yi) represents pixel difference in coordinates of two adjacent images. α is the angle specifying the direction of the object's motion relative to the x-axis: αɛ[00,900]. Varying the speed of the aluminum plate, variant values of (▵xi ,▵i) are obtained and varying the direction of numeric control caterpillar track, variant values of α were obtained. From the obtained displacement and the collected frequency, the vibration frequency was obtained. The experimental results show the DSCM can confirm the frequency and displacement of vibration, and have a good agreement with the simulation results, and the results show the digital speckle correlation method can be used to measure vibation.

  13. Petascale Many Body Methods for Complex Correlated Systems

    NASA Astrophysics Data System (ADS)

    Pruschke, Thomas

    2012-02-01

    Correlated systems constitute an important class of materials in modern condensed matter physics. Correlation among electrons are at the heart of all ordering phenomena and many intriguing novel aspects, such as quantum phase transitions or topological insulators, observed in a variety of compounds. Yet, theoretically describing these phenomena is still a formidable task, even if one restricts the models used to the smallest possible set of degrees of freedom. Here, modern computer architectures play an essential role, and the joint effort to devise efficient algorithms and implement them on state-of-the art hardware has become an extremely active field in condensed-matter research. To tackle this task single-handed is quite obviously not possible. The NSF-OISE funded PIRE collaboration ``Graduate Education and Research in Petascale Many Body Methods for Complex Correlated Systems'' is a successful initiative to bring together leading experts around the world to form a virtual international organization for addressing these emerging challenges and educate the next generation of computational condensed matter physicists. The collaboration includes research groups developing novel theoretical tools to reliably and systematically study correlated solids, experts in efficient computational algorithms needed to solve the emerging equations, and those able to use modern heterogeneous computer architectures to make then working tools for the growing community.

  14. Temporal discrimination, a cervical dystonia endophenotype: penetrance and functional correlates.

    PubMed

    Kimmich, Okka; Molloy, Anna; Whelan, Robert; Williams, Laura; Bradley, David; Balsters, Joshua; Molloy, Fiona; Lynch, Tim; Healy, Daniel G; Walsh, Cathal; O'Riordan, Seán; Reilly, Richard B; Hutchinson, Michael

    2014-05-01

    The pathogenesis of adult-onset primary dystonia remains poorly understood. There is variable age-related and gender-related expression of the phenotype, the commonest of which is cervical dystonia. Endophenotypes may provide insight into underlying genetic and pathophysiological mechanisms of dystonia. The temporal discrimination threshold (TDT)-the shortest time interval at which two separate stimuli can be detected as being asynchronous-is abnormal both in patients with cervical dystonia and in their unaffected first-degree relatives. Functional magnetic resonance imaging (fMRI) studies have shown that putaminal activation positively correlates with the ease of temporal discrimination between two stimuli in healthy individuals. We hypothesized that abnormal temporal discrimination would exhibit similar age-related and gender-related penetrance as cervical dystonia and that unaffected relatives with an abnormal TDT would have reduced putaminal activation during a temporal discrimination task. TDTs were examined in a group of 192 healthy controls and in 158 unaffected first-degree relatives of 84 patients with cervical dystonia. In 24 unaffected first-degree relatives, fMRI scanning was performed during a temporal discrimination task. The prevalence of abnormal TDTs in unaffected female relatives reached 50% after age 48 years; whereas, in male relatives, penetrance of the endophenotype was reduced. By fMRI, relatives who had abnormal TDTs, compared with relatives who had normal TDTs, had significantly less activation in the putamina and in the middle frontal and precentral gyri. Only the degree of reduction of putaminal activity correlated significantly with worsening of temporal discrimination. These findings further support abnormal temporal discrimination as an endophenotype of cervical dystonia involving disordered basal ganglia circuits.

  15. Hyperdynamics for entropic systems: time-space compression and pair correlation function approximation.

    PubMed

    Zhou, Xin; Jiang, Yi; Kremer, Kurt; Ziock, Hans; Rasmussen, Steen

    2006-09-01

    We develop a generalized hyperdynamics method that is able to simulate slow dynamics in atomistic general (both energy- and entropy-dominated) systems. We show that a few functionals of the pair correlation function, involving two-body entropy, form a low-dimensional collective space, which is a good approximation that is able to distinguish stable and transitional conformations. A bias potential, which raises the energy in stable regions, is constructed on the fly. We examine the slow nucleation processes of a Lennard-Jones gas and show that our method can generate correct long-time dynamics without prior knowledge.

  16. Calculation of correlated initial state in the hierarchical equations of motion method using an imaginary time path integral approach

    SciTech Connect

    Song, Linze; Shi, Qiang

    2015-11-21

    Based on recent findings in the hierarchical equations of motion (HEOM) for correlated initial state [Y. Tanimura, J. Chem. Phys. 141, 044114 (2014)], we propose a new stochastic method to obtain the initial conditions for the real time HEOM propagation, which can be used further to calculate the equilibrium correlation functions and symmetrized correlation functions. The new method is derived through stochastic unraveling of the imaginary time influence functional, where a set of stochastic imaginary time HEOM are obtained. The validity of the new method is demonstrated using numerical examples including the spin-Boson model, and the Holstein model with undamped harmonic oscillator modes.

  17. Calculation of correlated initial state in the hierarchical equations of motion method using an imaginary time path integral approach.

    PubMed

    Song, Linze; Shi, Qiang

    2015-11-21

    Based on recent findings in the hierarchical equations of motion (HEOM) for correlated initial state [Y. Tanimura, J. Chem. Phys. 141, 044114 (2014)], we propose a new stochastic method to obtain the initial conditions for the real time HEOM propagation, which can be used further to calculate the equilibrium correlation functions and symmetrized correlation functions. The new method is derived through stochastic unraveling of the imaginary time influence functional, where a set of stochastic imaginary time HEOM are obtained. The validity of the new method is demonstrated using numerical examples including the spin-Boson model, and the Holstein model with undamped harmonic oscillator modes. PMID:26590526

  18. Correlation between visual function and refractive, topographic, pachymetric and aberrometric data in eyes with keratoconus

    PubMed Central

    Bayraktar Bilen, Neslihan; Hepsen, Ibrahim F.; Arce, Carlos G.

    2016-01-01

    AIM To analyze the relationship between two visual functions and refractive, topographic, pachymetric and aberrometric indicators in eyes with keratoconus. METHODS Corrected distance visual acuity (CDVA), and letter contrast sensitivity (CS) were correlated with refraction, corneal topography, pachymetry, and total corneal wavefront data prospectively in 71 eyes with keratoconus. The topographic indices assessed were simulated keratometry for the flattest and steepest meridians (SimK1 and SimK2), posterior steeper K (Ks), elevation value in best-fit sphere (BFS) maps, squared eccentricity (Є2), aspheric asymmetric index (AAI), pachymetry, thickness progression index (TPI), the amount of pachymetric decentralization (APD), and GalileiTM-keratoconus indices. RESULTS The mean CDVA (expressed as logMAR) were 0.25±0.21. The mean CS was 1.25±0.46. The spherical refraction correlated well with CDVA (r=-0.526, P<0.001). From topographic indices, SRI correlated with CS (r=-0.695), and IAI with CS (r=-0.672) (P<0.001 for all). Root mean square (RMS) was 4.3±1.81 µm, spherical aberration (SA) was -0.4±0.67 µm, vertical and horizontal coma were -2.1±1.47 and -0.4±0.72 µm. All wavefront data (except horizontal coma), AAI, Є2 and maximum BFS correlated significantly with the visual function (P≤0.001 for all). CONCLUSION In this study, CS is more affected than CDVA as a visual function. The quantity and quality of vision is significantly correlated with well-known and new topographic indices. There is not a significant correlation between visual function and pachymetric parameters. The significantly correlated indices can be used in staging keratoconus and to follow the outcome of a treatment. PMID:27588266

  19. Two-point correlation functions to characterize microgeometry and estimate permeabilities of synthetic and natural sandstones

    SciTech Connect

    Blair, S.C.; Berge, P.A.; Berryman, J.G.

    1993-08-01

    We have developed an image-processing method for characterizing the microstructure of rock and other porous materials, and for providing a quantitative means for understanding the dependence of physical properties on the pore structure. This method is based upon the statistical properties of the microgeometry as observed in scanning electron micrograph (SEM) images of cross sections of porous materials. The method utilizes a simple statistical function, called the spatial correlation function, which can be used to predict bounds on permeability and other physical properties. We obtain estimates of the porosity and specific surface area of the material from the two-point correlation function. The specific surface area can be related to the permeability of porous materials using a Kozeny-Carman relation, and we show that the specific surface area measured on images of sandstones is consistent with the specific surface area used in a simple flow model for computation of permeability. In this paper, we discuss the two-point spatial correlation function and its use in characterizing microstructure features such as pore and grain sizes. We present estimates of permeabilities found using SEM images of several different synthetic and natural sandstones. Comparison of the estimates to laboratory measurements shows good agreement. Finally, we briefly discuss extension of this technique to two-phase flow.

  20. Application of the Graphic Correlation method to Pliocene marine sequences

    USGS Publications Warehouse

    Dowsett, H.J.

    1989-01-01

    Biostratigraphy - the use of paleontological evidence to establish relative chronologies, forms the cornerstone of many sedimentary geological investigations. Several different approaches to biochronology are available. Traditional interval zones, defined on lowest and/or highest occurrences of selected taxa, are used to place bodies of rock in a relative chronological framework. Fossil datum levels, which are more numerous than zones, are often used as chronohorizons for correlation purposs. The Graphic Correlation method, like interval zonations, synthesizes information from a number of different taxa but does not assume synchrony of any one taxon. A magnetobiostratigraphic model for deep-sea Pliocene sequences has been constructed by graphic correlation of Deep Sea Drilling project cores from the North Atlantic (606), Caribbean Sea (502), South Atlantic (516), Tasman Sea (590), Equatorial Pacific (573) and North Pacific (577). All cores are hydraulic piston cores which contain abundant planktonic foraminifers, calcareous nannofossils and which record many of the magnetic reversals expected in the Pliocene. The model is based on internally consistent paleontologic data gathered by the author. This study demonstrates the advantages of graphic correlation over conventional biostratigraphic procedures. Accurate inter-regional correlations can be made between core sites without resorting to multiple microfossil zonations and without invoking synchrony of fossil events. Important results of this study are: (1) many Pliocene planktonic foraminifer and calcareous nannofossil events are diachronous by more than 0.20 m.y., (2) Globorotalia truncatulinoides first occurs in the Southwest Pacific Ocean, approximately 0.50 m.y. earlier than previously reported, (3) a previously undetected hiatus of short duration (0.38 m.y.) exists just above the Cochiti subchron at DSDP 577A. ?? 1989.

  1. Correlation functions in liquids and crystals: free-energy functional and liquid-to-crystal transition.

    PubMed

    Bharadwaj, Atul S; Singh, Swarn L; Singh, Yashwant

    2013-08-01

    A free-energy functional for a crystal that contains both the symmetry-conserved and symmetry-broken parts of the direct pair-correlation function has been used to investigate the crystallization of fluids in three dimensions. The symmetry-broken part of the direct pair-correlation function has been calculated using a series in ascending powers of the order parameters and which contains three- and higher-body direct correlation functions of the isotropic phase. It is shown that a very accurate description of freezing transitions for a wide class of potentials is found by considering the first two terms of this series. The results found for freezing parameters including the structure of the frozen phase for fluids interacting via the inverse power potential u(r)=ε(σ/r)(n) for n ranging from 4 to ∞ are in very good agreement with simulation results. It is found that for n>6.5 the fluid freezes into a face-centered cubic (fcc) structure while for n≤6 the body-centered cubic (bcc) structure is preferred. The fluid-bcc-fcc triple point is found to be at 1/n=0.158, which is in good agreement with simulation result. PMID:24032780

  2. Core Noise Diagnostics of Turbofan Engine Noise Using Correlation and Coherence Functions

    NASA Technical Reports Server (NTRS)

    Miles, Jeffrey H.

    2009-01-01

    Cross-correlation and coherence functions are used to look for periodic acoustic components in turbofan engine combustor time histories, to investigate direct and indirect combustion noise source separation based on signal propagation time delays, and to provide information on combustor acoustics. Using the cross-correlation function, time delays were identified in all cases, clearly indicating the combustor is the source of the noise. In addition, unfiltered and low-pass filtered at 400 Hz signals had a cross-correlation time delay near 90 ms, while the low-pass filtered at less than 400 Hz signals had a cross-correlation time delay longer than 90 ms. Low-pass filtering at frequencies less than 400 Hz partially removes the direct combustion noise signals. The remainder includes the indirect combustion noise signal, which travels more slowly because of the dependence on the entropy convection velocity in the combustor. Source separation of direct and indirect combustion noise is demonstrated by proper use of low-pass filters with the cross-correlation function for a range of operating conditions. The results may lead to a better idea about the acoustics in the combustor and may help develop and validate improved reduced-order physics-based methods for predicting direct and indirect combustion noise.

  3. Proton-Λ correlation functions at energies available at the CERN Large Hadron Collider taking into account residual correlations

    NASA Astrophysics Data System (ADS)

    Shapoval, V. M.; Sinyukov, Yu. M.; Naboka, V. Yu.

    2015-10-01

    The theoretical analysis of the p ¯-Λ ⊕p -Λ ¯ correlation function in 10% most central Au+Au collisions at Relativistic Heavy Ion Collider (RHIC) energy √{sNN}=200 GeV shows that the contribution of residual correlations is a necessary factor for obtaining a satisfactory description of the experimental data. Neglecting the residual correlation effect leads to an unrealistically low source radius, about 2 times smaller than the corresponding value for p -Λ ⊕p ¯-Λ ¯ case, when one fits the experimental correlation function within Lednický-Lyuboshitz analytical model. Recently an approach that accounts effectively for residual correlations for the baryon-antibaryon correlation function was proposed, and a good RHIC data description was reached with the source radius extracted from the hydrokinetic model (HKM). The p ¯-Λ scattering length, as well as the parameters characterizing the residual correlation effect—annihilation dip amplitude and its inverse width—were extracted from the corresponding fit. In this paper we use these extracted values and simulated in HKM source functions for Pb+Pb collisions at the LHC energy √{sNN}=2.76 TeV to predict the corresponding p Λ and p Λ ¯ correlation functions.

  4. Disorders of Microtubule Function in Neurons: Imaging Correlates

    PubMed Central

    Mutch, Christopher A.; Poduri, Annapurdi; Sahin, Mustafa; Barry, Brenda; Walsh, Christopher A.; Barkovich, A. James

    2015-01-01

    Background and Significance A number of recent studies have described malformations of cortical development with mutations of components of microtubules and microtubule-associated proteins. Despite examinations of large numbers of MRIs, good phenotype-genotype correlations have been elusive. Additionally, most of these studies focused exclusively on cerebral cortical findings. Materials and Methods MRIs from18 patients with confirmed tubulin mutations (8 TUBA1A, 5 TUBB2B, and 5 TUBB3) and 15 patients with known mutations of the genes encoding microtubule-associated proteins (5 LIS1, 4 DCX, and 6 DYNC1H1) were carefully visually analyzed and compared. Specific note was made of cortical gyral pattern, basal ganglia and white matter to assess internal capsular size, cortical thickness, ventricular and cisternal size, and size and contours of the brain stem, cerebellar hemispheres and vermis, and the corpus callosum of patients with tubulin and microtubule-associated protein gene mutations. Results were determined by unanimous consensus of the authors. Results All patients had abnormal MRI scans. Large proportions of patients with tubulin gene mutations were found to have multiple cortical and subcortical abnormalities including microcephaly, ventriculomegaly, abnormal gyral and sulcal patterns (termed dysgyria), small or absent corpus callosum and small pons. All patients with microtubule-associated proteins mutations also had abnormal cerebral cortices (predominantly pachygyria and agyria), but fewer subcortical abnormalities were noted. Conclusion Comparison of MRIs from patients with known mutations of tubulin genes and microtubule-associated proteins allows for the establishment of some early correlations of phenotype with genotype and may assist in identification and diagnosis of these rare disorders. PMID:26564436

  5. Integrable dissipative exclusion process: Correlation functions and physical properties

    NASA Astrophysics Data System (ADS)

    Crampe, N.; Ragoucy, E.; Rittenberg, V.; Vanicat, M.

    2016-09-01

    We study a one-parameter generalization of the symmetric simple exclusion process on a one-dimensional lattice. In addition to the usual dynamics (where particles can hop with equal rates to the left or to the right with an exclusion constraint), annihilation and creation of pairs can occur. The system is driven out of equilibrium by two reservoirs at the boundaries. In this setting the model is still integrable: it is related to the open XXZ spin chain through a gauge transformation. This allows us to compute the full spectrum of the Markov matrix using Bethe equations. We also show that the stationary state can be expressed in a matrix product form permitting to compute the multipoints correlation functions as well as the mean value of the lattice and the creation-annihilation currents. Finally, the variance of the lattice current is computed for a finite-size system. In the thermodynamic limit, it matches the value obtained from the associated macroscopic fluctuation theory.

  6. Waveform correlation methods for identifying populations of calibration events

    SciTech Connect

    Harris, D.B.

    1997-07-01

    An approach for systematically screening large volumes of continuous data for repetitive events identified as mining explosions on basis of temporal and amplitude population characteristics. The method extends event clustering through waveform correlation with a new source-region-specific detector. The new signal subspace detector generalizes the matched filter and can be used to increase the number of events associated with a given cluster, thereby increasing the reliability of diagnostic cluster population characteristics. The method can be applied to obtain bootstrap ground truth explosion waveforms for testing discriminants, where actual ground truth is absent. The same events, if associated with to a particular mine, may help calibrate velocity models. The method may also assist earthquake hazard risk assessment by providing what amounts to blasting logs for identified mines. The cluster event lists can be reconciled against earthquake catalogs to screen explosions, otherwise hard to identify from the catalogs.

  7. Field methods to measure surface displacement and strain with the Video Image Correlation method

    NASA Technical Reports Server (NTRS)

    Maddux, Gary A.; Horton, Charles M.; Mcneill, Stephen R.; Lansing, Matthew D.

    1994-01-01

    The objective of this project was to develop methods and application procedures to measure displacement and strain fields during the structural testing of aerospace components using paint speckle in conjunction with the Video Image Correlation (VIC) system.

  8. Soil structure modeling with different correlation functions: current results and future perspectives

    NASA Astrophysics Data System (ADS)

    Karsanina, M.; Gerke, K.; Vasilyev, R.; Skvortsova, E.

    2012-04-01

    One of the main factors defining numerous flow phenomena in soils and other porous media, including fluid and solute movements, is pore structure, e.g., pore volume and its connectivity. In recent decades different numerical methods were developed to quantify single and multi-phase flow in such media on microscale. Among most popular ones are: 1) a wide range of finite difference/element/volume solutions of Navier-Stokes equations and its simplifications; 2) lattice-Boltzmann method; 3) pore-network models. Each method has some advantages and weak sides, so that different research teams usually utilize more than one, depending on the study case. Recent progress in X-ray tomography and some other techniques allows precise determination of soil three-dimensional structure, however, a trade-off between resolution and sample size is usually unavoidable. There are situations then only standard two-dimensional information of porous structure is known due to tomography high cost or resolution limitations. But physical modeling on microscale, there most interfacial processes take place requires 3D information. There are three main approaches to reconstruct (using 2D cut(s) or some other limited information/properties) porous media: 1) statistical methods (correlation functions and simulated annealing, multi-point statistics, entropy methods), 2) sequential methods (sphere or other granular packs) and 3) morphological methods. Multi-point statistical method is believed to excel others due to its simplicity with respect to practical applications and better results (in particular pore space connectivity and anisotropy issues). Recently it was shown that cluster function implication significantly improve reconstruction quality, especially in comparison with original Yeong-Torquato technique based on two-point probability and linear functions. Another possible reason for these correlation functions poorer performance is computer power limitations of that time, e.g., high energy

  9. Reduction in lung functions in type-2 diabetes in Indian population: correlation with glycemic status.

    PubMed

    Dharwadkar, Anand R; Dharwadkar, Asha A; Banu, Gouher; Bagali, Shrilaxmi

    2011-01-01

    The purpose of this study was to evaluate pulmonary functions in patients with Type-2 diabetes mellitus and to determine their correlation with glycemic status of diabetes in Indian population. Forty Type-2 diabetic patients, aged 30-60 years, with diabetic duration of 1-20 years, were included in the study. FVC, FEV1, & FEV1% are recorded by Benedict's Roth spirometer. PEFR and MEP were recorded by Wright's Peak flow meter & Modified Black's apparatus. Glycemic status of subjects was determined by FBS & PPBS by Glucose oxidase & peroxidase methods. And results were analyzed by calculating Mean +/- SD, using Student's t test, and Pearson correlation. All the respiratory parameters are reduced in Type-2 diabetic patients compared to control of which FEV1, FEV1%, & MEP show very highly significant reduction (P=0.000). Lung functions are negatively correlated with glycemic status & duration of diabetes. (r = -0.390, & -0.342) Reduction in dynamic lung functions and its negative correlation to glycemic status might be due to respiratory muscle weakness as indicated by highly significant reduction in MEP. Hence strict glycemic control and breathing exercises to strengthen the respiratory muscles may improve lung function in diabetics. PMID:22319899

  10. Extension of the Nakajima-Zwanzig approach to multitime correlation functions of open systems

    NASA Astrophysics Data System (ADS)

    Ivanov, Anton; Breuer, Heinz-Peter

    2015-09-01

    We extend the Nakajima-Zwanzig projection operator technique to the determination of multitime correlation functions of open quantum systems. The correlation functions are expressed in terms of certain multitime homogeneous and inhomogeneous memory kernels for which suitable equations of motion are derived. We show that under the condition of finite memory times, these equations can be used to determine the memory kernels by employing an exact stochastic unraveling of the full system-environment dynamics. The approach thus allows us to combine exact stochastic methods, feasible for short times, with long-time master equation simulations. The applicability of the method is demonstrated by numerical simulations of two-dimensional spectra for a donor-acceptor model, and by comparison of the results with those obtained from the reduced hierarchy equations of motion. We further show that the formalism is also applicable to the time evolution of a periodically driven two-level system initially in equilibrium with its environment.

  11. a Task-Oriented Disaster Information Correlation Method

    NASA Astrophysics Data System (ADS)

    Linyao, Q.; Zhiqiang, D.; Qing, Z.

    2015-07-01

    With the rapid development of sensor networks and Earth observation technology, a large quantity of disaster-related data is available, such as remotely sensed data, historic data, case data, simulated data, and disaster products. However, the efficiency of current data management and service systems has become increasingly difficult due to the task variety and heterogeneous data. For emergency task-oriented applications, the data searches primarily rely on artificial experience based on simple metadata indices, the high time consumption and low accuracy of which cannot satisfy the speed and veracity requirements for disaster products. In this paper, a task-oriented correlation method is proposed for efficient disaster data management and intelligent service with the objectives of 1) putting forward disaster task ontology and data ontology to unify the different semantics of multi-source information, 2) identifying the semantic mapping from emergency tasks to multiple data sources on the basis of uniform description in 1), and 3) linking task-related data automatically and calculating the correlation between each data set and a certain task. The method goes beyond traditional static management of disaster data and establishes a basis for intelligent retrieval and active dissemination of disaster information. The case study presented in this paper illustrates the use of the method on an example flood emergency relief task.

  12. Towards a Density Functional Theory Exchange-Correlation Functional able to describe localization/delocalization

    NASA Astrophysics Data System (ADS)

    Mattsson, Ann E.; Wills, John M.

    2013-03-01

    The inability to computationally describe the physics governing the properties of actinides and their alloys is the poster child of failure of existing Density Functional Theory exchange-correlation functionals. The intricate competition between localization and delocalization of the electrons, present in these materials, exposes the limitations of functionals only designed to properly describe one or the other situation. We will discuss the manifestation of this competition in real materials and propositions on how to construct a functional able to accurately describe properties of these materials. I addition we will discuss both the importance of using the Dirac equation to describe the relativistic effects in these materials, and the connection to the physics of transition metal oxides. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  13. Function changing mutations in glucocorticoid receptor evolution correlate with their relevance to mode coupling.

    PubMed

    Kav, Batuhan; Öztürk, Murat; Kabakçιoğlu, Alkan

    2016-05-01

    Nonlinear effects in protein dynamics are expected to play role in function, particularly of allosteric nature, by facilitating energy transfer between vibrational modes. A recently proposed method focusing on the non-Gaussian shape of the configurational population near equilibrium projects this information onto real space in order to identify the aminoacids relevant to function. We here apply this method to three ancestral proteins in glucocorticoid receptor (GR) family and show that the mutations that restrict functional activity during GR evolution correlate significantly with locations that are highlighted by the nonlinear contribution to the near-native configurational distribution. Our findings demonstrate that the analysis of nonlinear effects in protein dynamics can be harnessed into a predictive tool for functional site determination. PMID:26873882

  14. Investigating relationships between rainfall and karst-spring discharge by higher-order partial correlation functions

    NASA Astrophysics Data System (ADS)

    Jukić, Damir; Denić-Jukić, Vesna

    2015-11-01

    Time series of rainfall and karst-spring discharge are influenced by various space-time-variant processes involved in the transfer of water in hydrological cycle. The effects of these processes can be exhibited in auto-correlation and cross-correlation functions. Consequently, ambiguities with respect to the effects encoded in the correlation functions exist. To solve this problem, a new statistical method for investigating relationships between rainfall and karst-spring discharge is proposed. The method is based on the determination and analysis of higher-order partial correlation functions and their spectral representations. The study area is the catchment of the Jadro Spring in Croatia. The analyzed daily time series are the air temperature, relative humidity, spring discharge, and rainfall at seven rain-gauges over a period of 19 years, from 1995 to 2013. The application results show that the effects of spatial and temporal variations of hydrological time series and the space-time-variant behaviours of the karst system can be separated from the correlation functions. Specifically, the effect of evapotranspiration can be separated to obtain the forms of correlation functions that represent the hydrogeological characteristics of the karst system. Using the proposed method, it is also possible to separate the effects of the process of groundwater recharge that occurs in neighbouring parts of a catchment to identify the specific contribution of each part of the catchment to the karst-spring discharge. The main quantitative results obtained for the Jadro Spring show that the quick-flow duration is 14 days, the intermediate-flow duration is 80 days, and the pure base flow starts after 80 days. The base flow consists of an inter-catchment groundwater flow. The system memory of the spring is 80 days. The presented results indicate the far-reaching applicability of the proposed method in the analyses of relationships between rainfall and karst-spring discharge; e

  15. Density Density Correlation Function for a Bose-Einstein Condensate Analog Black Hole

    NASA Astrophysics Data System (ADS)

    Anderson, Paul; Balbinot, Roberto; Fabbri, Alessandro; Parentani, Renaud

    2013-04-01

    The density density correlation function is computed for an analog black hole which consists of a Bose-Einstein condensate with an acoustic horizon. The method used relies only on quantum field theory in curved spacetime techniques. A comparison with the results obtained by ab initio full condensed matter calculations is given, confirming the validity of the approximation used provided the profile of the flow varies smoothly on scales compared to the condensate healing length.

  16. Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory

    SciTech Connect

    Richardson, Jeremy O. Thoss, Michael

    2014-08-21

    There is currently much interest in the development of improved trajectory-based methods for the simulation of nonadiabatic processes in complex systems. An important goal for such methods is the accurate calculation of the rate constant over a wide range of electronic coupling strengths and it is often the nonadiabatic, weak-coupling limit, which being far from the Born-Oppenheimer regime, provides the greatest challenge to current methods. We show that in this limit there is an inherent sign problem impeding further development which originates from the use of the usual quantum flux correlation functions, which can be very oscillatory at short times. From linear response theory, we derive a modified flux correlation function for the calculation of nonadiabatic reaction rates, which still rigorously gives the correct result in the long-time limit regardless of electronic coupling strength, but unlike the usual formalism is not oscillatory in the weak-coupling regime. In particular, a trajectory simulation of the modified correlation function is naturally initialized in a region localized about the crossing of the potential energy surfaces. In the weak-coupling limit, a simple link can be found between the dynamics initialized from this transition-state region and an generalized quantum golden-rule transition-state theory, which is equivalent to Marcus theory in the classical harmonic limit. This new correlation function formalism thus provides a platform on which a wide variety of dynamical simulation methods can be built aiding the development of accurate nonadiabatic rate theories applicable to complex systems.

  17. Fragment-based treatment of delocalization and static correlation errors in density-functional theory

    NASA Astrophysics Data System (ADS)

    Nafziger, Jonathan; Wasserman, Adam

    2015-12-01

    One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of systems involving fractional electron charges and spins. Approximate exchange-correlation functionals struggle with such systems, leading to pervasive delocalization and static correlation errors. We demonstrate how these errors, which plague density-functional calculations of bond-stretching processes, can be avoided by employing the alternative framework of partition density-functional theory (PDFT) even using the local density approximation for the fragments. Our method is illustrated with explicit calculations on simple systems exhibiting delocalization and static-correlation errors, stretched H2+, H2, He2+, Li2+, and Li2. In all these cases, our method leads to greatly improved dissociation-energy curves. The effective KS potential corresponding to our self-consistent solutions displays key features around the bond midpoint; these are known to be present in the exact KS potential, but are absent from most approximate KS potentials and are essential for the correct description of electron dynamics.

  18. Fragment-based treatment of delocalization and static correlation errors in density-functional theory.

    PubMed

    Nafziger, Jonathan; Wasserman, Adam

    2015-12-21

    One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of systems involving fractional electron charges and spins. Approximate exchange-correlation functionals struggle with such systems, leading to pervasive delocalization and static correlation errors. We demonstrate how these errors, which plague density-functional calculations of bond-stretching processes, can be avoided by employing the alternative framework of partition density-functional theory (PDFT) even using the local density approximation for the fragments. Our method is illustrated with explicit calculations on simple systems exhibiting delocalization and static-correlation errors, stretched H2 (+), H2, He2 (+), Li2 (+), and Li2. In all these cases, our method leads to greatly improved dissociation-energy curves. The effective KS potential corresponding to our self-consistent solutions displays key features around the bond midpoint; these are known to be present in the exact KS potential, but are absent from most approximate KS potentials and are essential for the correct description of electron dynamics. PMID:26696044

  19. Fragment-based treatment of delocalization and static correlation errors in density-functional theory.

    PubMed

    Nafziger, Jonathan; Wasserman, Adam

    2015-12-21

    One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of systems involving fractional electron charges and spins. Approximate exchange-correlation functionals struggle with such systems, leading to pervasive delocalization and static correlation errors. We demonstrate how these errors, which plague density-functional calculations of bond-stretching processes, can be avoided by employing the alternative framework of partition density-functional theory (PDFT) even using the local density approximation for the fragments. Our method is illustrated with explicit calculations on simple systems exhibiting delocalization and static-correlation errors, stretched H2 (+), H2, He2 (+), Li2 (+), and Li2. In all these cases, our method leads to greatly improved dissociation-energy curves. The effective KS potential corresponding to our self-consistent solutions displays key features around the bond midpoint; these are known to be present in the exact KS potential, but are absent from most approximate KS potentials and are essential for the correct description of electron dynamics.

  20. Correlation analysis between four serum biomarkers of liver fibrosis and liver function in infants with cholestasis

    PubMed Central

    TANG, NING; ZHANG, YAPING; LIU, ZEYU; FU, TAO; LIANG, QINGHONG; AI, XUEMEI

    2016-01-01

    The aim of the present study was to investigate the correlation between four serum biomarkers of liver fibrosis and liver function in infants with cholestasis. A total of 30 infants with cholestasis and 20 healthy infants were included in the study. Biochemical assays based on the initial rate method and colorimetric assays were conducted to determine the levels of liver function markers in the serum [such as alanine aminotransferase (ALT), aspartate aminotransferase (AST), total bilirubin (TBIL), direct bilirubin (DBIL), indirect bilirubin (IBIL), γ-glutamyl transferase (γ-GT), cholinesterase (CHE) and total bile acids (TBA)] and four serum biomarkers of liver fibrosis were measured using radioimmunoassays [hyaluronic acid (HA), procollagen type III (PCIII), laminin (LN) and collagen type IV (cIV)]. The serum levels of ALT, AST, TBIL, DBIL, IBIL, γ-GT and TBA in the infants with cholestasis were significantly higher compared to the healthy infants (P<0.01); the serum levels of CHE in the infants with cholestasis were significantly lower compared to the healthy infants (P<0.01). The serum levels of HA, PCIII, and cIV in the infants with cholestasis were significantly higher compared to the healthy infants (P<0.01). Correlation analyses between liver function and the four biomarkers of liver fibrosis showed that HA was positively correlated with AST and γ-GT (P<0.05) and negatively correlated with ALT, CHE and TBA (P<0.05). cIV was positively correlated with γ-GT (P<0.05) and negatively correlated with CHE (P<0.05). In conclusion, statistically significant differences were identified for the liver function markers (ALT, AST, TBIL, DBIL, IBIL, γ-GT and TBA) and the biomarkers HA, PCIII and cIV of liver fibrosis between infants with cholestasis and healthy infants. Thus, the serum levels of HA, cIV, γ-GT and CHE are sensitive markers for cholestatic liver fibrosis in infants. PMID:27347413

  1. Photographic Measurements Partially Correlate to Nasal Function and Appearance among Adult Cleft Patients

    PubMed Central

    Keijser, Klara; Nowinski, Daniel

    2016-01-01

    Background: Unilateral cleft lip and palate (UCLP) affects nasal function and appearance. There is a lack of objective measurements to evaluate these features. This study analyzes whether objective measurements on photographs correlate with nasal function and/or appearance among adults treated for UCLP. Methods: All patients with UCLP born from 1960 to 1987 treated at the Uppsala University Hospital were invited (n = 109). Participation rate was 68% (n = 74); mean follow-up was 35 years. An age-matched control group (n = 61) underwent the same tests. Nostril area, nasal tip deviation angle, and width of the nostril were measured on photographs and were compared with functional tests and with appearance as assessed by self-assessment questionnaire, professional panel, or laymen panel. Results: The photographically measured nostril area correlated with nasal volume (acoustic rhinometry) among UCLP patients, both cleft side and noncleft side, and controls (0.331, P = 0.005; 0.338, P = 0.004; and 0.420, P < 0.001, respectively). For the patients’ noncleft side and controls, the area correlated inversely with airflow resistance at inspiration (noncleft side: −0.245, P = 0.043; controls: −0.226, P = 0.013). Laymen assessment of nasal appearance correlated with width ratio of the patients (0.27, P = 0.022) and with nasal tip deviation angle and area ratio of the controls (0.26, P = 0.041, and 0.31, P = 0.015, respectively). Conclusions: Photographic measurements correlate partially with both functional tests of the nose and panel ratings of appearance. No correlation was found with self-assessment of appearance. Evaluation of photographs needs to be combined with patient-reported outcome measures to be a valuable endpoint of nasal appearance. PMID:27579244

  2. Hormonal regulation of alveolarization: structure-function correlation

    PubMed Central

    Garber, Samuel J; Zhang, Huayan; Foley, Joseph P; Zhao, Hengjiang; Butler, Stephan J; Godinez, Rodolfo I; Godinez, Marye H; Gow, Andrew J; Savani, Rashmin C

    2006-01-01

    Background Dexamethasone (Dex) limits and all-trans-retinoic acid (RA) promotes alveolarization. While structural changes resulting from such hormonal exposures are known, their functional consequences are unclear. Methods Neonatal rats were treated with Dex and/or RA during the first two weeks of life or were given RA after previous exposure to Dex. Morphology was assessed by light microscopy and radial alveolar counts. Function was evaluated by plethysmography at d13, pressure volume curves at d30, and exercise swim testing and arterial blood gases at both d15 and d30. Results Dex-treated animals had simplified lung architecture without secondary septation. Animals given RA alone had smaller, more numerous alveoli. Concomitant treatment with Dex + RA prevented the Dex-induced changes in septation. While the results of exposure to Dex + RA were sustained, the effects of RA alone were reversed two weeks after treatment was stopped. At d13, Dex-treated animals had increased lung volume, respiratory rate, tidal volume, and minute ventilation. On d15, both RA- and Dex-treated animals had hypercarbia and low arterial pH. By d30, the RA-treated animals resolved this respiratory acidosis, but Dex-treated animals continued to demonstrate blood gas and lung volume abnormalities. Concomitant RA treatment improved respiratory acidosis, but failed to normalize Dex-induced changes in pulmonary function and lung volumes. No differences in exercise tolerance were noted at either d15 or d30. RA treatment after the period of alveolarization also corrected the effects of earlier Dex exposure, but the structural changes due to RA alone were again lost two weeks after treatment. Conclusion We conclude that both RA- and corticosteroid-treatments are associated with respiratory acidosis at d15. While RA alone-induced changes in structure andrespiratory function are reversed, Dex-treated animals continue to demonstrate increased respiratory rate, minute ventilation, tidal and total lung

  3. Deformation-phase measurement by digital speckle correlation method

    NASA Astrophysics Data System (ADS)

    Zhao, Ran; Sun, Ping

    2016-10-01

    A novel algorithm which extracts the out-of-plane component of deformation phase from two continuous fringe patterns is proposed. The velocity field between two consecutive frames is estimated by digital speckle correlation method (DSCM). After that, according to the optical flow constrained equation, the whole-field deformation-phase map is obtained by the estimations of the velocity field and the local frequency of the original image. The operation of the proposed method is simple compared with other phase demodulation methods. Moreover, the new method works perfectly at the areas with dense fringes. In this paper, the proposed algorithm is introduced. Meanwhile, in order to verify the effectiveness, the new algorithm is applied to simulated interferogram and real fringe pattern with a centrally loaded and edge-clamped plate. The results of simulation and experiment show that the new method can demodulate the out-of-plane component of deformation phase from the visible in-plane velocity field without unwrapping process. Further, dynamic deformation-phase extraction will be realized when we know the time interval of two continuous images. The proposed algorithm provides a new approach for whole-field deformation-phase measurement and dynamic deformation measurement.

  4. Two-Way Gene Interaction From Microarray Data Based on Correlation Methods

    PubMed Central

    Alavi Majd, Hamid; Talebi, Atefeh; Gilany, Kambiz; Khayyer, Nasibeh

    2016-01-01

    Background Gene networks have generated a massive explosion in the development of high-throughput techniques for monitoring various aspects of gene activity. Networks offer a natural way to model interactions between genes, and extracting gene network information from high-throughput genomic data is an important and difficult task. Objectives The purpose of this study is to construct a two-way gene network based on parametric and nonparametric correlation coefficients. The first step in constructing a Gene Co-expression Network is to score all pairs of gene vectors. The second step is to select a score threshold and connect all gene pairs whose scores exceed this value. Materials and Methods In the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as Spearman’s rank correlation coefficient and Blomqvist’s measure, and compared them with Pearson’s correlation coefficient. We surveyed six genes of venous thrombosis disease, made a matrix entry representing the score for the corresponding gene pair, and obtained two-way interactions using Pearson’s correlation, Spearman’s rank correlation, and Blomqvist’s coefficient. Finally, these methods were compared with Cytoscape, based on BIND, and Gene Ontology, based on molecular function visual methods; R software version 3.2 and Bioconductor were used to perform these methods. Results Based on the Pearson and Spearman correlations, the results were the same and were confirmed by Cytoscape and GO visual methods; however, Blomqvist’s coefficient was not confirmed by visual methods. Conclusions Some results of the correlation coefficients are not the same with visualization. The reason may be due to the small number of data.

  5. Two-Way Gene Interaction From Microarray Data Based on Correlation Methods

    PubMed Central

    Alavi Majd, Hamid; Talebi, Atefeh; Gilany, Kambiz; Khayyer, Nasibeh

    2016-01-01

    Background Gene networks have generated a massive explosion in the development of high-throughput techniques for monitoring various aspects of gene activity. Networks offer a natural way to model interactions between genes, and extracting gene network information from high-throughput genomic data is an important and difficult task. Objectives The purpose of this study is to construct a two-way gene network based on parametric and nonparametric correlation coefficients. The first step in constructing a Gene Co-expression Network is to score all pairs of gene vectors. The second step is to select a score threshold and connect all gene pairs whose scores exceed this value. Materials and Methods In the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as Spearman’s rank correlation coefficient and Blomqvist’s measure, and compared them with Pearson’s correlation coefficient. We surveyed six genes of venous thrombosis disease, made a matrix entry representing the score for the corresponding gene pair, and obtained two-way interactions using Pearson’s correlation, Spearman’s rank correlation, and Blomqvist’s coefficient. Finally, these methods were compared with Cytoscape, based on BIND, and Gene Ontology, based on molecular function visual methods; R software version 3.2 and Bioconductor were used to perform these methods. Results Based on the Pearson and Spearman correlations, the results were the same and were confirmed by Cytoscape and GO visual methods; however, Blomqvist’s coefficient was not confirmed by visual methods. Conclusions Some results of the correlation coefficients are not the same with visualization. The reason may be due to the small number of data. PMID:27621916

  6. Quantum Monte Carlo benchmark of exchange-correlation functionals for bulk water

    SciTech Connect

    Morales, Miguel A; Gergely, John; McMinis, Jeremy; McMahon, Jeffrey; Kim, Jeongnim; Ceperley, David M.

    2014-01-01

    The accurate description of the thermodynamic and dynamical properties of liquid water from first-principles is a very important challenge to the theoretical community. This represents not only a critical test of the predictive capabilities of first-principles methods, but it will also shed light into the microscopic properties of such an important substance. Density Functional Theory, the main workhorse in the field of first-principles methods, has been so far unable to properly describe water and its unusual properties in the liquid state. With the recent introduction of exact exchange and an improved description of dispersion interaction, the possibility of an accurate description of the liquid is finally within reach. Unfortunately, there is still no way to systematically improve exchange-correlation functionals and the number of available functionals is very large. In this article we use highly accurate quantum Monte Carlo calculations to benchmark a selection of exchange-correlation functionals typically used in Density Functional Theory simulations of bulk water. This allows us to test the predictive capabilities of these functionals in water, giving us a way not only to choose optimal functionals for first-principles simulations, but also giving us a route for the optimization of the functionals for the system at hand. We compare and contrast the importance of different features of functionals, including the hybrid component, the vdW component, and their importance within different aspects of the PES. In addition, we test a recently introduce scheme that combines Density Functional Theory with Coupled Cluster Calculations through a Many-Body expansion of the energy, in order to correct the inaccuracies in the description of short range interactions in the liquid.

  7. Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability

    NASA Astrophysics Data System (ADS)

    Erhard, Jannis; Bleiziffer, Patrick; Görling, Andreas

    2016-09-01

    A power series approximation for the correlation kernel of time-dependent density-functional theory is presented. Using this approximation in the adiabatic-connection fluctuation-dissipation (ACFD) theorem leads to a new family of Kohn-Sham methods. The new methods yield reaction energies and barriers of unprecedented accuracy and enable a treatment of static (strong) correlation with an accuracy of high-level multireference configuration interaction methods but are single-reference methods allowing for a black-box-like handling of static correlation. The new methods exhibit a better scaling of the computational effort with the system size than rivaling wave-function-based electronic structure methods. Moreover, the new methods do not suffer from the problem of singularities in response functions plaguing previous ACFD methods and therefore are applicable to any type of electronic system.

  8. Hierarchical Ensemble Methods for Protein Function Prediction

    PubMed Central

    2014-01-01

    Protein function prediction is a complex multiclass multilabel classification problem, characterized by multiple issues such as the incompleteness of the available annotations, the integration of multiple sources of high dimensional biomolecular data, the unbalance of several functional classes, and the difficulty of univocally determining negative examples. Moreover, the hierarchical relationships between functional classes that characterize both the Gene Ontology and FunCat taxonomies motivate the development of hierarchy-aware prediction methods that showed significantly better performances than hierarchical-unaware “flat” prediction methods. In this paper, we provide a comprehensive review of hierarchical methods for protein function prediction based on ensembles of learning machines. According to this general approach, a separate learning machine is trained to learn a specific functional term and then the resulting predictions are assembled in a “consensus” ensemble decision, taking into account the hierarchical relationships between classes. The main hierarchical ensemble methods proposed in the literature are discussed in the context of existing computational methods for protein function prediction, highlighting their characteristics, advantages, and limitations. Open problems of this exciting research area of computational biology are finally considered, outlining novel perspectives for future research. PMID:25937954

  9. Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo.

    PubMed

    Booth, George H; Chan, Garnet Kin-Lic

    2012-11-21

    In this communication, we propose a method for obtaining isolated excited states within the full configuration interaction quantum Monte Carlo framework. This method allows for stable sampling with respect to collapse to lower energy states and requires no uncontrolled approximations. In contrast with most previous methods to extract excited state information from quantum Monte Carlo methods, this results from a modification to the underlying propagator, and does not require explicit orthogonalization, analytic continuation, transient estimators, or restriction of the Hilbert space via a trial wavefunction. Furthermore, we show that the propagator can directly yield frequency-domain correlation functions and spectral functions such as the density of states which are difficult to obtain within a traditional quantum Monte Carlo framework. We demonstrate this approach with pilot applications to the neon atom and beryllium dimer.

  10. Serum Paraoxonase Levels are Correlated with Impaired Aortic Functions in Patients with Chronic Kidney Disease

    PubMed Central

    Efe, Tolga H; Ertem, Ahmet G; Altunoglu, Alpaslan; Koseoglu, Cemal; Erayman, Ali; Bilgin, Murat; Kurmuş, Özge; Aslan, Turgay; Bilge, Mehmet

    2016-01-01

    Background The correlation between aortic functions and paraoxonase levels has been previously demonstrated by several earlier studies. In this study, we aimed to investigate the correlation between serum paraoxonase levels and aortic functions among patients with chronic kidney disease. Methods Our study enrolled 46 chronic kidney disease patients and 45 healthy controls. From these patients, serum cholesterol, creatinine, hemoglobin, and paraoxonase-1 levels were analyzed. Results Paraoxonase-1 levels were significantly lower in patients with chronic kidney disease compared to the controls (p < 0.001). Additionally, the extent of aortic stiffness index (%) was significantly higher in chronic kidney disease patients, but aortic strain and aortic distensibility were significantly higher in healthy controls (p < 0.001, p < 0.001, and p < 0.001, respectively). We further found that paraoxonase-1 levels were correlated with aortic stiffness index, aortic strain, and aortic distensibility (p < 0.001, p < 0.001, and p < 0.001, respectively). Conclusions Our study demonstrated that serum paraoxonase-1 levels were significantly correlated with impaired aortic functions. The results of this study highlight the impact of serum paraoxonase-1 activity on atherosclerosis and cardiovascular adverse events. PMID:27122934

  11. Correlation between head posture and proprioceptive function in the cervical region

    PubMed Central

    Yong, Min-Sik; Lee, Hae-Yong; Lee, Mi-Young

    2016-01-01

    [Purpose] The aim of the present study was to investigate correlation between head posture and proprioceptive function in the cervical region. [Subjects and Methods] Seventy-two subjects (35 males and 37 females) participated in this study. For measurement of head posture, the craniovertebral angle was calculated based on the angle between a horizontal line passing through C7 and a line extending from the tragus of the ear to C7. The joint position sense was evaluated using a dual digital inclinometer (Acumar, Lafayette Instrument, Lafayette, IN, USA), which was used to measure the joint position error for cervical flexion and extension. [Results] A significant negative correlation was observed between the craniovertebral angle and position sense error for flexion and extension. [Conclusion] Forward head posture is correlated with greater repositioning error than a more upright posture, and further research is needed to determine whether correction of forward head posture has any impact on repositioning error. PMID:27134372

  12. How to combine correlated data sets-A Bayesian hyperparameter matrix method

    NASA Astrophysics Data System (ADS)

    Ma, Y.-Z.; Berndsen, A.

    2014-07-01

    We construct a “hyperparameter matrix” statistical method for performing the joint analyses of multiple correlated astronomical data sets, in which the weights of data sets are determined by their own statistical properties. This method is a generalization of the hyperparameter method constructed by Lahav et al. (2000) and Hobson et al. (2002) which was designed to combine independent data sets. The advantage of our method is to treat correlations between multiple data sets and gives appropriate relevant weights of multiple data sets with mutual correlations. We define a new “element-wise” product, which greatly simplifies the likelihood function with hyperparameter matrix. We rigorously prove the simplified formula of the joint likelihood and show that it recovers the original hyperparameter method in the limit of no covariance between data sets. We then illustrate the method by applying it to a demonstrative toy model of fitting a straight line to two sets of data. We show that the hyperparameter matrix method can detect unaccounted systematic errors or underestimated errors in the data sets. Additionally, the ratio of Bayes' factors provides a distinct indicator of the necessity of including hyperparameters. Our example shows that the likelihood we construct for joint analyses of correlated data sets can be widely applied to many astrophysical systems.

  13. Correlations Between Echocardiographic Systolic and Diastolic Function with Cardiac Catheterization in Biventricular Congenital Heart Patients.

    PubMed

    Nadorlik, H; Stiver, C; Khan, S; Miao, Y; Holzer, R; Cheatham, J P; Cua, C L

    2016-04-01

    Newer echocardiographic techniques may allow for more accurate assessment of left ventricular (LV) function. Adult studies have correlated these echocardiographic measurements with invasive data, but minimal data exist in the pediatric congenital heart population. Purpose of this study was to evaluate which echocardiographic measurements correlated best with LV systolic and diastolic catheterization parameters. Patients with two-ventricle physiology who underwent simultaneous echocardiogram and cardiac catheterization were included. Images were obtained in the four-chamber view. LV systolic echocardiographic data included ejection fraction, displacement, tissue Doppler imaging (TDI) s' wave, global longitudinal strain, and strain rate (SR) s' wave. Diastolic echocardiographic data included mitral E and A waves, TDI e' and a' waves, and SRe' and SRa' waves. E/TDI e', TDI e'/TDI a', E/SRe', and SRe'/SRa' ratios were also calculated. Catheterization dP/dt was used as a marker for systolic function, and LV end-diastolic pressure (EDP) was used as a marker for diastolic function. Correlations of the echocardiographic and catheterization values were performed using Pearson correlation. Twenty-nine patients were included (14 females, 15 males). Median age at catheterization was 3.4 years (0.04-17.4 years). dP/dt was 1258 ± 353 mmHg/s, and LVEDP was 10.8 ± 2.4 mmHg. There were no significant correlations between catheterization dP/dt and systolic echocardiographic parameters. LVEDP correlated significantly with SRe' (r = -0.4, p = 0.03), SRa' (r = -0.4, p = 0.03), and E/SRe' (r = 0.5, p = 0.004). In pediatric congenital heart patients, catheterization dP/dt did not correlate with echocardiographic measurements of LV systolic function. Further studies are needed to determine which echocardiographic parameter best describes LV systolic function in this population. Strain rate analysis significantly correlated with LVEDP. Strain rate analysis should be considered as an

  14. Muscle MRI Findings in Childhood/Adult Onset Pompe Disease Correlate with Muscle Function

    PubMed Central

    Figueroa-Bonaparte, Sebastián; Segovia, Sonia; Llauger, Jaume; Belmonte, Izaskun; Pedrosa, Irene; Alejaldre, Aída; Mayos, Mercè; Suárez-Cuartín, Guillermo; Gallardo, Eduard; Illa, Isabel; Díaz-Manera, Jordi

    2016-01-01

    Objectives Enzyme replacement therapy has shown to be effective for childhood/adult onset Pompe disease (AOPD). The discovery of biomarkers useful for monitoring disease progression is one of the priority research topics in Pompe disease. Muscle MRI could be one possible test but the correlation between muscle MRI and muscle strength and function has been only partially addressed so far. Methods We studied 34 AOPD patients using functional scales (Manual Research Council scale, hand held myometry, 6 minutes walking test, timed to up and go test, time to climb up and down 4 steps, time to walk 10 meters and Motor Function Measure 20 Scale), respiratory tests (Forced Vital Capacity seated and lying, Maximun Inspiratory Pressure and Maximum Expiratory Pressure), daily live activities scales (Activlim) and quality of life scales (Short Form-36 and Individualized Neuromuscular Quality of Life questionnaire). We performed a whole body muscle MRI using T1w and 3-point Dixon imaging centered on thighs and lower trunk region. Results T1w whole body muscle MRI showed a homogeneous pattern of muscle involvement that could also be found in pre-symptomatic individuals. We found a strong correlation between muscle strength, muscle functional scales and the degree of muscle fatty replacement in muscle MRI analyzed using T1w and 3-point Dixon imaging studies. Moreover, muscle MRI detected mild degree of fatty replacement in paraspinal muscles in pre-symptomatic patients. Conclusion Based on our findings, we consider that muscle MRI correlates with muscle function in patients with AOPD and could be useful for diagnosis and follow-up in pre-symptomatic and symptomatic patients under treatment. Take home message Muscle MRI correlates with muscle function in patients with AOPD and could be useful to follow-up patients in daily clinic. PMID:27711114

  15. Analyzing correlation functions with tesseral and Cartesian spherical harmonics

    SciTech Connect

    Danielewicz, Pawel; Pratt, Scott

    2007-03-15

    The dependence of interparticle correlations on the orientation of particle relative momentum can yield unique information on the space-time features of emission in reactions with multiparticle final states. In the present paper, the benefits of a representation and analysis of the three-dimensional correlation information in terms of surface spherical harmonics is presented. The harmonics include the standard complex tesseral harmonics and the real Cartesian harmonics. Mathematical properties of the lesser known Cartesian harmonics are illuminated. The physical content of different angular harmonic components in a correlation is described. The resolving power of different final-state effects with regard to determining angular features of emission regions is investigated. The considered final-state effects include identity interference, strong interactions, and Coulomb interactions. The correlation analysis in terms of spherical harmonics is illustrated with the cases of Gaussian and blast-wave sources for proton-charged meson and baryon-baryon pairs.

  16. Calculations of properties of screened He-like systems using correlated wave functions.

    PubMed

    Dai, S T; Solovyova, A; Winkler, P

    2001-07-01

    The purpose of the present study is twofold. First, the techniques of correlated wave functions for two-electron systems have been extended to obtain results for P and D states in a screening environment, and in particular for Debye screening. In these calculations, the satisfaction of both the quantum virial theorem and a related sum rule has been enforced and found to provide a high degree of stability of the solutions. Second, in order to facilitate the general use of correlated wave functions in combination with sum rule stability criteria, a rather systematic computational approach to this notoriously cumbersome method has been developed and thoroughly discussed here. Accurate calculations for few-electron systems are of interest to plasma diagnostics; in particular, when inaccuracies in binding energies are drastically magnified as they occur in exponents of Boltzmann factors.

  17. Calculations of properties of screened He-like systems using correlated wave functions.

    PubMed

    Dai, S T; Solovyova, A; Winkler, P

    2001-07-01

    The purpose of the present study is twofold. First, the techniques of correlated wave functions for two-electron systems have been extended to obtain results for P and D states in a screening environment, and in particular for Debye screening. In these calculations, the satisfaction of both the quantum virial theorem and a related sum rule has been enforced and found to provide a high degree of stability of the solutions. Second, in order to facilitate the general use of correlated wave functions in combination with sum rule stability criteria, a rather systematic computational approach to this notoriously cumbersome method has been developed and thoroughly discussed here. Accurate calculations for few-electron systems are of interest to plasma diagnostics; in particular, when inaccuracies in binding energies are drastically magnified as they occur in exponents of Boltzmann factors. PMID:11461411

  18. Accelerating the two-point and three-point galaxy correlation functions using Fourier transforms

    NASA Astrophysics Data System (ADS)

    Slepian, Zachary; Eisenstein, Daniel J.

    2016-01-01

    Though Fourier transforms (FTs) are a common technique for finding correlation functions, they are not typically used in computations of the anisotropy of the two-point correlation function (2PCF) about the line of sight in wide-angle surveys because the line-of-sight direction is not constant on the Cartesian grid. Here we show how FTs can be used to compute the multipole moments of the anisotropic 2PCF. We also show how FTs can be used to accelerate the 3PCF algorithm of Slepian & Eisenstein. In both cases, these FT methods allow one to avoid the computational cost of pair counting, which scales as the square of the number density of objects in the survey. With the upcoming large data sets of Dark Energy Spectroscopic Instrument, Euclid, and Large Synoptic Survey Telescope, FT techniques will therefore offer an important complement to simple pair or triplet counts.

  19. An optimum approximation of n-point correlation functions of random heterogeneous material systems

    SciTech Connect

    Baniassadi, M.; Garmestani, H.; Ahzi, S.; Remond, Y.

    2014-02-21

    An approximate solution for n-point correlation functions is developed in this study. In the approximate solution, weight functions are used to connect subsets of (n-1)-point correlation functions to estimate the full set of n-point correlation functions. In previous related studies, simple weight functions were introduced for the approximation of three and four-point correlation functions. In this work, the general framework of the weight functions is extended and derived to achieve optimum accuracy for approximate n-point correlation functions. Such approximation can be utilized to construct global n-point correlation functions for a system when there exist limited information about these functions in a subset of space. To verify its accuracy, the new formulation is used to approximate numerically three-point correlation functions from the set of two-point functions directly evaluated from a virtually generated isotropic heterogeneous microstructure representing a particulate composite system. Similarly, three-point functions are approximated for an anisotropic glass fiber/epoxy composite system and compared to their corresponding reference values calculated from an experimental dataset acquired by computational tomography. Results from both virtual and experimental studies confirm the accuracy of the new approximation. The new formulation can be utilized to attain a more accurate approximation to global n-point correlation functions for heterogeneous material systems with a hierarchy of length scales.

  20. Hybrid star structure with the Field Correlator Method

    NASA Astrophysics Data System (ADS)

    Burgio, G. F.; Zappalà, D.

    2016-03-01

    We explore the relevance of the color-flavor locking phase in the equation of state (EoS) built with the Field Correlator Method (FCM) for the description of the quark matter core of hybrid stars. For the hadronic phase, we use the microscopic Brueckner-Hartree-Fock (BHF) many-body theory, and its relativistic counterpart, i.e. the Dirac-Brueckner (DBHF). We find that the main features of the phase transition are directly related to the values of the quark-antiquark potential V1, the gluon condensate G2 and the color-flavor superconducting gap Δ. We confirm that the mapping between the FCM and the CSS (constant speed of sound) parameterization holds true even in the case of paired quark matter. The inclusion of hyperons in the hadronic phase and its effect on the mass-radius relation of hybrid stars is also investigated.

  1. Correction methods for finite-acceptance effects in two-particle correlation analyses

    NASA Astrophysics Data System (ADS)

    Oh, Saehanseul; Morsch, Andreas; Loizides, Constantin; Schuster, Tim

    2016-08-01

    Two-particle angular correlations have been widely used as a tool to explore particle production mechanisms in heavy-ion collisions. The mixed-event technique is generally used as a standard method to correct for finite-acceptance effects. We demonstrate that event mixing only provides an approximate acceptance correction, and propose new methods for finite-acceptance corrections. Starting from discussions about 2-dimensional correction procedures, new methods are derived for specific assumptions on the properties of the signal, such as uniform signal distribution or δ-function-like trigger particle distribution, and suitable for two-particle correlation analyses from particles at mid-rapidity and jet-hadron or high p T -triggered hadron-hadron correlations. Per-trigger associated particle yields from the mixed-event method and the new methods are compared through Monte Carlo simulations containing well-defined correlation signals. Significant differences are observed at large pseudorapidity differences in general and especially for asymmetric particle distribution like that produced in proton-nucleus collisions. The applicability and validity of the new methods are discussed in detail.

  2. The Course and Correlates of Everyday Functioning in Schizophrenia

    PubMed Central

    Reichenberg, Abraham; Feo, Concetta; Prestia, Davide; Bowie, Christopher R.; Patterson, Thomas L.; Harvey, Philip D.

    2014-01-01

    Previously institutionalized older patients with schizophrenia show changes in cognitive and functional capacity over time. This study examined changes in real-world functioning in a sample of people with schizophrenia who varied in their history of long-term institutionalization and related changes in real world functioning to changes in cognition and functional capacity over the follow-up period. Older patients with schizophrenia (n=111) were examined with assessments of cognitive functioning, functional capacity, clinical symptoms, and everyday functioning. They were then followed up to 45 months and examined up to two times. Mixed-model regression was used to examine changes in real-world functioning in social, everyday living, and vocational domains over the follow-up period and identify potential predictors of change. Everyday functioning worsened over time in all three domains. Although length of longest hospitalization predicted worsening, this influence was eliminated when the course of functional capacity was used to predict the course of everyday functioning. For both vocational and everyday living domains, as well as the composite score on functional status, worsening in performance based measures of everyday functioning and social competence predicted worsening in real world functioning. Changes in negative symptoms further predicted worsening in the everyday living domain. Worsening in everyday functioning is found in people with schizophrenia and those with a history of greater chronicity and severity of illness seem more affected. These influences seem to be expressed through worsening in the ability to perform everyday functional skills. Potential causes of these changes and implications for reducing these impairments are discussed. PMID:25045625

  3. Density-Functional Theory Studies of Correlation Energy Effects at Metallic Surfaces.

    NASA Astrophysics Data System (ADS)

    Mohammed, Abdel-Raouf Eid

    In this thesis we study the effects of correlation in the inhomogeneous electron gas at metallic surfaces. These studies are performed within the context of density-functional theory (DFT). Using accurate representations of the electronic density profile, we have estimated variationally the surface correlation energy of jellium metal. The accuracy of these estimates is founded in the assumption that the exchange -correlation energy functional of the density is approximated accurately by the wave-vector analysis method, and by the fact that the non-local exchange energy contributions are treated exactly. In contrast to the previously accepted conclusion that for surfaces correlation effects are as significant as exchange, our results indicate the ratio of these energies to lie between 34% - 97% over the metallic density range, the smaller ratios corresponding to the higher density metals. In this work we have also examined the local density (LDA) and gradient expansion approximations (GEA) (to O((DEL)('2))) for the correlation energy. We have demonstrated for realistic metal surface densities the cancellation of the errors in the LDA for exchange and correlation, and shown that the density profiles at surfaces would have to be unphysically slowly varying for the correlation energy GEA to converge. We have also studied the effects of correlation at surfaces by screening the exchange, and observe that the surface exchange energy for screened-Coulomb interaction decreases as the screening length is reduced. Thus, the more short-ranged the interaction, the easier it is to split the crystal in two. In addition we have derived the DFT first gradient correction coefficient in the GEA for the screened-Coulomb exchange energy, and shown it to be the same as that obtained within Hartree -Fock theory (HFT) for finite screening. This coefficient reduces to the DFT bare-Coulomb interaction value in the limit of no screening in which limit the HFT coefficient is singular. The GEA

  4. Multifragment azimuthal correlation functions: Probes for reaction dynamics in collisions of intermediate energy heavy ions

    SciTech Connect

    Lacey, R.A.; Elmaani, A.; Lauret, J.; Li, T.; Bauer, W.; Craig, D.; Cronqvist, M.; Gualtieri, E.; Hannuschke, S.; Reposeur, T.; Vander Molen, A.; Westfall, G.D.; Wilson, W.K.; Winfield, J.S.; Yee, J.; Yennello, S.; Nadasen, A.; Tickle, R.S.; Norbeck, E. National Superconducting Cyclotron Laboratory Department of Physics, Michigan State University, East Lansing, Michigan 48824-1321 Department of Physics, University of Michigan at Dearborn, Dearborn, Michigan 48128 Department of Physics, University of Michigan, Ann Arbor, Michigan 48109-1120 Department of Physics, University of Iowa, Iowa City, Iowa 52242 )

    1993-03-01

    Multifragment azimuthal correlation functions have been measured as a function of beam energy and impact parameter for the Ar+Sc system ([ital E]/[ital A]=35 to 115 MeV). The observed azimuthal correlation functions---which do not require corrections for dispersion of the reaction plane---exhibit strong asymmetries which are dependent on impact parameter and beam energy. Rotational collective motion and flow seem to dominate the correlation functions at low beam energies. It is proposed that multifragment azimuthal correlation functions can provide a useful probe for intermediate energy heavy ion reaction dynamics.

  5. Dependence of Structural and Electronic Properties of Uranium Monochalcogenides on Exchange--Correlation Energy Functionals

    NASA Astrophysics Data System (ADS)

    Suzuki, Shugo; Ohta, Hidehisa; Komatsu, Takumi; Yasuda, Sho

    2011-08-01

    We study the dependence of the structural properties of uranium monochalcogenides, UX where X = S, Se, and Te, as well as their electronic ones on the exchange--correlation energy functionals within the spin density functional theory, carrying out all electron calculations by the fully relativistic full-potential linear-combination-of-atomic-orbitals method. We employ two functionals of the local spin density approximation (LSDA) and two functionals of the generalized gradient approximations (GGA); the former two are the Perdew--Zunger and Perdew--Wang functionals and the latter two are the Perdew--Burke--Ernzerhof (PBE) and PBEsol functionals. We also examine the effects of the relativistic correction to the LSDA exchange part of each functional. We find that, for lattice constants, bulk moduli, and cohesive energies, the results of the calculations using the PBE functional are in the best agreement with the experimental results. On the contrary, we find that calculated total magnetic moments and one-electron energies are almost the same for all the LSDA and GGA functionals employed in this work, failing to improve the agreement between the calculated and experimental results even if the gradient and relativistic corrections are included. We also find that the relativistic correction plays minor roles in both the structural and electronic properties.

  6. Method of making low work function component

    DOEpatents

    Robinson, Vance; Weaver, Stanton Earl; Michael, Joseph Darryl

    2011-11-15

    A method for fabricating a component is disclosed. The method includes: providing a member having an effective work function of an initial value, disposing a sacrificial layer on a surface of the member, disposing a first agent within the member to obtain a predetermined concentration of the agent at said surface of the member, annealing the member, and removing the sacrificial layer to expose said surface of the member, wherein said surface has a post-process effective work function that is different from the initial value.

  7. Arterial endothelial function measurement method and apparatus

    DOEpatents

    Maltz, Jonathan S; Budinger, Thomas F

    2014-03-04

    A "relaxoscope" (100) detects the degree of arterial endothelial function. Impairment of arterial endothelial function is an early event in atherosclerosis and correlates with the major risk factors for cardiovascular disease. An artery (115), such as the brachial artery (BA) is measured for diameter before and after several minutes of either vasoconstriction or vasorelaxation. The change in arterial diameter is a measure of flow-mediated vasomodification (FMVM). The relaxoscope induces an artificial pulse (128) at a superficial radial artery (115) via a linear actuator (120). An ultrasonic Doppler stethoscope (130) detects this pulse 10-20 cm proximal to the point of pulse induction (125). The delay between pulse application and detection provides the pulse transit time (PTT). By measuring PTT before (160) and after arterial diameter change (170), FMVM may be measured based on the changes in PTT caused by changes in vessel caliber, smooth muscle tone and wall thickness.

  8. Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

    NASA Astrophysics Data System (ADS)

    Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

    2012-06-01

    By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H_2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct. Q. Ma, R. H. Tipping, and N. N. Lavrentieva, JQSRT dio:10.1016/j.jqsrt.2012.02.012 (2012).

  9. Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

    NASA Technical Reports Server (NTRS)

    Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

    2012-01-01

    By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct.

  10. Correlation-Based Image Reconstruction Methods for Magnetic Particle Imaging

    NASA Astrophysics Data System (ADS)

    Ishihara, Yasutoshi; Kuwabara, Tsuyoshi; Honma, Takumi; Nakagawa, Yohei

    Magnetic particle imaging (MPI), in which the nonlinear interaction between internally administered magnetic nanoparticles (MNPs) and electromagnetic waves irradiated from outside of the body is utilized, has attracted attention for its potential to achieve early diagnosis of diseases such as cancer. In MPI, the local magnetic field distribution is scanned, and the magnetization signal from MNPs within a selected region is detected. However, the signal sensitivity and image resolution are degraded by interference from magnetization signals generated by MNPs outside of the selected region, mainly because of imperfections (limited gradients) in the local magnetic field distribution. Here, we propose new methods based on correlation information between the observed signal and the system function—defined as the interaction between the magnetic field distribution and the magnetizing properties of MNPs. We performed numerical analyses and found that, although the images were somewhat blurred, image artifacts could be significantly reduced and accurate images could be reconstructed without the inverse-matrix operation used in conventional image reconstruction methods.

  11. A method to transfer speckle patterns for digital image correlation

    NASA Astrophysics Data System (ADS)

    Chen, Zhenning; Quan, Chenggen; Zhu, Feipeng; He, Xiaoyuan

    2015-09-01

    A simple and repeatable speckle creation method based on water transfer printing (WTP) is proposed to reduce artificial measurement error for digital image correlation (DIC). This technique requires water, brush, and a piece of transfer paper that is made of prefabricated decal paper, a protected sheet, and printed speckle patterns. The speckle patterns are generated and optimized via computer simulations, and then printed on the decal paper. During the experiments, operators can moisten the basement with water and the brush, so that digital patterns can be simply transferred to the carriers’ surfaces. Tensile experiments with an extended three-dimensional (3D) DIC system are performed to test and verify the validity of WTP patterns. It is shown that by comparing with a strain gage, the strain error is less than 50με in a uniform tensile test. From five carbon steel tensile experiments, Lüders bands in both WTP patterns and spray paint patterns are demonstrated to propagate symmetrically. In the necking part where the strain is up to 66%, WTP patterns are proved to adhere to the specimens well. Hence, WTP patterns are capable of maintaining coherence and adherence to the specimen surface. The transfer paper, working as the role of strain gage in the electrometric method, will contribute to speckle creation.

  12. Estimation of purity in terms of correlation functions

    NASA Astrophysics Data System (ADS)

    Prosen, Tomaž; Seligman, Thomas H.; Žnidarič, Marko

    2003-06-01

    We prove a rigorous inequality that estimates the purity of a reduced density matrix of a composite quantum system in terms of cross correlation of the same state and an arbitrary product state. Various immediate applications of our result are proposed, in particular, concerning Gaussian wave-packet propagation under classically regular dynamics.

  13. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients

    PubMed Central

    Park, Gi-Tae; Kim, Mihyun

    2016-01-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients. PMID:27630440

  14. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients.

    PubMed

    Park, Gi-Tae; Kim, Mihyun

    2016-08-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients. PMID:27630440

  15. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients.

    PubMed

    Park, Gi-Tae; Kim, Mihyun

    2016-08-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients.

  16. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients

    PubMed Central

    Park, Gi-Tae; Kim, Mihyun

    2016-01-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients.

  17. Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

    NASA Technical Reports Server (NTRS)

    Huang, K.-N.

    1977-01-01

    A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

  18. Computationally efficient method to construct scar functions

    NASA Astrophysics Data System (ADS)

    Revuelta, F.; Vergini, E. G.; Benito, R. M.; Borondo, F.

    2012-02-01

    The performance of a simple method [E. L. Sibert III, E. Vergini, R. M. Benito, and F. Borondo, New J. Phys.NJOPFM1367-263010.1088/1367-2630/10/5/053016 10, 053016 (2008)] to efficiently compute scar functions along unstable periodic orbits with complicated trajectories in configuration space is discussed, using a classically chaotic two-dimensional quartic oscillator as an illustration.

  19. Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation

    SciTech Connect

    Liu, Jian; Miller, William H.

    2008-08-01

    The maximum entropy analytic continuation (MEAC) method is used to extend the range of accuracy of the linearized semiclassical initial value representation (LSC-IVR)/classical Wigner approximation for real time correlation functions. The LSC-IVR provides a very effective 'prior' for the MEAC procedure since it is very good for short times, exact for all time and temperature for harmonic potentials (even for correlation functions of nonlinear operators), and becomes exact in the classical high temperature limit. This combined MEAC+LSC/IVR approach is applied here to two highly nonlinear dynamical systems, a pure quartic potential in one dimensional and liquid para-hydrogen at two thermal state points (25K and 14K under nearly zero external pressure). The former example shows the MEAC procedure to be a very significant enhancement of the LSC-IVR, for correlation functions of both linear and nonlinear operators, and especially at low temperature where semiclassical approximations are least accurate. For liquid para-hydrogen, the LSC-IVR is seen already to be excellent at T = 25K, but the MEAC procedure produces a significant correction at the lower temperature (T = 14K). Comparisons are also made to how the MEAC procedure is able to provide corrections for other trajectory-based dynamical approximations when used as priors.

  20. The galaxy correlation function as a constraint on galaxy formation physics

    NASA Astrophysics Data System (ADS)

    van Daalen, Marcel P.; Henriques, Bruno M. B.; Angulo, Raul E.; White, Simon D. M.

    2016-05-01

    We introduce methods which allow observed galaxy clustering to be used together with observed luminosity or stellar mass functions to constrain the physics of galaxy formation. We show how the projected two-point correlation function of galaxies in a large semi-analytic simulation can be estimated to better than ˜10 per cent using only a very small subsample of the subhalo merger trees. This allows measured correlations to be used as constraints in a Monte Carlo Markov Chain exploration of the astrophysical and cosmological parameter space. An important part of our scheme is an analytic profile which captures the simulated satellite distribution extremely well out to several halo virial radii. This is essential to reproduce the correlation properties of the full simulation at intermediate separations. As a first application, we use low-redshift clustering and abundance measurements to constrain a recent version of the Munich semi-analytic model. The preferred values of most parameters are consistent with those found previously, with significantly improved constraints and somewhat shifted `best' values for parameters that primarily affect spatial distributions. Our methods allow multi-epoch data on galaxy clustering and abundance to be used as joint constraints on galaxy formation. This may lead to significant constraints on cosmological parameters even after marginalizing over galaxy formation physics.

  1. Using partial correlation to enhance structural equation modeling of functional MRI data.

    PubMed

    Marrelec, Guillaume; Horwitz, Barry; Kim, Jieun; Pélégrini-Issac, Mélanie; Benali, Habib; Doyon, Julien

    2007-10-01

    In functional magnetic resonance imaging (fMRI) data analysis, effective connectivity investigates the influence that brain regions exert on one another. Structural equation modeling (SEM) has been the main approach to examine effective connectivity. In this paper, we propose a method that, given a set of regions, performs partial correlation analysis. This method provides an approach to effective connectivity that is data driven, in the sense that it does not require any prior information regarding the anatomical or functional connections. To demonstrate the practical relevance of partial correlation analysis for effective connectivity investigation, we reanalyzed data previously published [Bullmore, Horwitz, Honey, Brammer, Williams, Sharma, 2000. How good is good enough in path analysis of fMRI data? NeuroImage 11, 289-301]. Specifically, we show that partial correlation analysis can serve several purposes. In a pre-processing step, it can hint at which effective connections are structuring the interactions and which have little influence on the pattern of connectivity. As a post-processing step, it can be used both as a simple and visual way to check the validity of SEM optimization algorithms and to show which assumptions made by the model are valid, and which ones should be further modified to better fit the data.

  2. Development of Colle-Salvetti type electron-nucleus correlation functional for MC-DFT

    SciTech Connect

    Udagawa, Taro; Tsuneda, Takao; Tachikawa, Masanori

    2015-12-31

    A Colle-Salvetti type electron-nucleus correlation functional for multicomponent density-functional theory is proposed. We demonstrate that our correlation functional quantitatively reproduces the quantum nuclear effects of protons; the mean absolute deviation value is 2.8 millihartrees for the optimized structure of hydrogen-containing molecules. We also show other practical calculations with our new electron-deuteron and electron-triton correlation functionals. Since this functional is derived without any unphysical assumption, the strategy taken in this development will be a promising recipe to make new functionals for the potentials of other particles’ interactions.

  3. Development of Colle-Salvetti type electron-nucleus correlation functional for MC_DFT

    NASA Astrophysics Data System (ADS)

    Udagawa, Taro; Tsuneda, Takao; Tachikawa, Masanori

    2015-12-01

    A Colle-Salvetti type electron-nucleus correlation functional for multicomponent density-functional theory is proposed. We demonstrate that our correlation functional quantitatively reproduces the quantum nuclear effects of protons; the mean absolute deviation value is 2.8 millihartrees for the optimized structure of hydrogen-containing molecules. We also show other practical calculations with our new electron-deuteron and electron-triton correlation functionals. Since this functional is derived without any unphysical assumption, the strategy taken in this development will be a promising recipe to make new functionals for the potentials of other particles' interactions.

  4. Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations.

    PubMed

    Chan, Bun; Song, Jong-Won; Kawashima, Yukio; Hirao, Kimihiko

    2016-05-30

    In the present study, we have investigated two significant features of the OP correlation functional, namely the incorporation of the exchange functional into itself, and the inclusion of only opposite-spin (OS) effects. To explore the latter feature, we have compared OP with B95 and a new functional introduced in the present study - the OPB method that combines OP with the same-spin (SS) component of B95. In general, we find that B95 and OPB perform comparably. Our comparisons of the various DFT procedures suggest that the incorporation of a meta-GGA (e.g., TPSS) into OP and OPB does not necessarily lead to a chemically more accurate procedure than the use of a related GGA (e.g., PBE). An important finding is the more notable (and somewhat more consistent) improvement in performance with the incorporation of SS correlation, particularly for longer-range chemical properties. Nonetheless, on average across our test sets of over 800 systems, the difference between the performances of OP versus B95 or OPB is not exceedingly large. By drawing a parallel between these DFT methods and the wavefunction scaled-MP2-type methods, we reason that one can further develop the OP functional, and perhaps a wider range of correlation functionals by combining it with the technique of range separation. PMID:26931189

  5. Accurate and systematically improvable density functional theory embedding for correlated wavefunctions

    SciTech Connect

    Goodpaster, Jason D.; Barnes, Taylor A.; Miller, Thomas F.; Manby, Frederick R.

    2014-05-14

    We analyze the sources of error in quantum embedding calculations in which an active subsystem is treated using wavefunction methods, and the remainder using density functional theory. We show that the embedding potential felt by the electrons in the active subsystem makes only a small contribution to the error of the method, whereas the error in the nonadditive exchange-correlation energy dominates. We test an MP2 correction for this term and demonstrate that the corrected embedding scheme accurately reproduces wavefunction calculations for a series of chemical reactions. Our projector-based embedding method uses localized occupied orbitals to partition the system; as with other local correlation methods, abrupt changes in the character of the localized orbitals along a reaction coordinate can lead to discontinuities in the embedded energy, but we show that these discontinuities are small and can be systematically reduced by increasing the size of the active region. Convergence of reaction energies with respect to the size of the active subsystem is shown to be rapid for all cases where the density functional treatment is able to capture the polarization of the environment, even in conjugated systems, and even when the partition cuts across a double bond.

  6. Solving functional flow equations with pseudospectral methods

    NASA Astrophysics Data System (ADS)

    Borchardt, J.; Knorr, B.

    2016-07-01

    We apply pseudospectral methods to integrate functional flow equations with high accuracy, extending earlier work on functional fixed point equations [J. Borchardt and B. Knorr, Phys. Rev. D 91, 105011 (2015)]. The advantages of our method are illustrated with the help of two classes of models: first, to make contact with literature, we investigate flows of the O (N ) model in three dimensions, for N =1 , 4 and in the large N limit. For the case of a fractal dimension, d =2.4 , and N =1 , we follow the flow along a separatrix from a multicritical fixed point to the Wilson-Fisher fixed point over almost 13 orders of magnitude. As a second example, we consider flows of bounded quantum-mechanical potentials, which can be considered as a toy model for Higgs inflation. Such flows pose substantial numerical difficulties, and represent a perfect test bed to exemplify the power of pseudospectral methods.

  7. A canonical correlation neural network for multicollinearity and functional data.

    PubMed

    Gou, Zhenkun; Fyfe, Colin

    2004-03-01

    We review a recent neural implementation of Canonical Correlation Analysis and show, using ideas suggested by Ridge Regression, how to make the algorithm robust. The network is shown to operate on data sets which exhibit multicollinearity. We develop a second model which not only performs as well on multicollinear data but also on general data sets. This model allows us to vary a single parameter so that the network is capable of performing Partial Least Squares regression (at one extreme) to Canonical Correlation Analysis (at the other)and every intermediate operation between the two. On multicollinear data, the parameter setting is shown to be important but on more general data no particular parameter setting is required. Finally, we develop a second penalty term which acts on such data as a smoother in that the resulting weight vectors are much smoother and more interpretable than the weights without the robustification term. We illustrate our algorithms on both artificial and real data.

  8. Variational multiparticle-multihole configuration mixing method applied to pairing correlations in nuclei

    SciTech Connect

    Pillet, N.; Berger, J.-F.; Caurier, E.

    2008-08-15

    Applying a variational multiparticle-multihole configuration mixing method whose purpose is to include correlations beyond the mean field in a unified way without particle number and Pauli principle violations, we investigate pairing-like correlations in the ground states of {sup 116}Sn, {sup 106}Sn, and {sup 100}Sn. The same effective nucleon-nucleon interaction, namely, the D1S parametrization of the Gogny force, is used to derive both the mean field and correlation components of nuclear wave functions. Calculations are performed using an axially symmetric representation. The structure of correlated wave functions, their convergence with respect to the number of particle-hole excitations, and the influence of correlations on single-particle level spectra and occupation probabilities are analyzed and compared with results obtained with the same two-body effective interaction from BCS, Hartree-Fock-Bogoliubov, and particle number projected after variation BCS approaches. Calculations of nuclear radii and the first theoretical excited 0{sup +} states are compared with experimental data.

  9. Real time correlation function in a single phase spaceintegral--beyond the linearized semiclassical initial valuerepresentation

    SciTech Connect

    Liu, Jian; Miller, William H.

    2007-07-10

    It is shown how quantum mechanical time correlation functions [defined, e.g., in Eq. (1.1)] can be expressed, without approximation, in the same form as the linearized approximation of the semiclassical initial value representation (LSC-IVR), or classical Wigner model, for the correlation function [cf. Eq. (2.1)], i.e., as a phase space average (over initial conditions for trajectories) of the Wigner functions corresponding to the two operators. The difference is that the trajectories involved in the LSC-IVR evolve classically, i.e., according to the classical equations of motion, while in the exact theory they evolve according to generalized equations of motion that are derived here. Approximations to the exact equations of motion are then introduced to achieve practical methods that are applicable to complex (i.e., large) molecular systems. Four such methods are proposed in the paper--the full Wigner dynamics (full WD) and the 2nd order WD based on 'Winger trajectories', and the full Donoso-Martens dynamics (full DMD) and the 2nd order DMD based on 'Donoso-Martens trajectories'--all of which can be viewed as generalizations of the original LSC-IVR method. Numerical tests of these four versions of this new approach are made for two anharmonic model problems, and for each the momentum autocorrelation function (i.e., operators linear in coordinate or momentum operators) and the force autocorrelation function (non-linear operators) have been calculated. These four new approximate treatments are indeed seen to be significant improvements to the original LSC-IVR approximation.

  10. Structural properties of prokaryotic promoter regions correlate with functional features.

    PubMed

    Meysman, Pieter; Collado-Vides, Julio; Morett, Enrique; Viola, Roberto; Engelen, Kristof; Laukens, Kris

    2014-01-01

    The structural properties of the DNA molecule are known to play a critical role in transcription. In this paper, the structural profiles of promoter regions were studied within the context of their diversity and their function for eleven prokaryotic species; Escherichia coli, Klebsiella pneumoniae, Salmonella Typhimurium, Pseudomonas auroginosa, Geobacter sulfurreducens Helicobacter pylori, Chlamydophila pneumoniae, Synechocystis sp., Synechoccocus elongates, Bacillus anthracis, and the archaea Sulfolobus solfataricus. The main anchor point for these promoter regions were transcription start sites identified through high-throughput experiments or collected within large curated databases. Prokaryotic promoter regions were found to be less stable and less flexible than the genomic mean across all studied species. However, direct comparison between species revealed differences in their structural profiles that can not solely be explained by the difference in genomic GC content. In addition, comparison with functional data revealed that there are patterns in the promoter structural profiles that can be linked to specific functional loci, such as sigma factor regulation or transcription factor binding. Interestingly, a novel structural element clearly visible near the transcription start site was found in genes associated with essential cellular functions and growth in several species. Our analyses reveals the great diversity in promoter structural profiles both between and within prokaryotic species. We observed relationships between structural diversity and functional features that are interesting prospects for further research to yet uncharacterized functional loci defined by DNA structural properties.

  11. A novel objective evaluation method for trunk function

    PubMed Central

    Kinoshita, Kazuaki; Hashimoto, Masashi; Ishida, Kazunari; Yoneda, Yuki; Naka, Yuta; Kitanishi, Hideyuki; Oyagi, Hirotaka; Hoshino, Yuichi; Shibanuma, Nao

    2015-01-01

    [Purpose] To investigate whether an objective evaluation method for trunk function, namely the “trunk righting test”, is reproducible and reliable by testing on different observers (from experienced to beginners) and by confirming the test-retest reliability. [Subjects] Five healthy subjects were evaluated in this correlation study. [Methods] A handheld dynamometer was used in the assessments. The motor task was a trunk righting motion by moving the part with the sensor pad 10 cm outward from the original position. During measurement, the posture was held at maximum effort for 5 s. Measurement was repeated three times. Interexaminer reproducibility was examined in two physical therapists with 1 year experience and one physical therapist with 7 years of experience. The measured values were evaluated for reliability by using intraclass correlation coefficients (ICC 1.1) and interclass correlation coefficients (ICC 2.1). [Results] The test-retest reliability ICC 1.1 and ICC 2.1 were all high. The ICC 1.1 was >0.90. The ICC 2.1 was 0.93. [Conclusion] We developed the trunk righting test as a novel objective evaluation method for trunk function. As the study included inexperienced therapists, the results suggest that the trunk righting test could be used in the clinic, independent of the experience of the therapists. PMID:26157279

  12. A new method to infer higher-order spike correlations from membrane potentials.

    PubMed

    Reimer, Imke C G; Staude, Benjamin; Boucsein, Clemens; Rotter, Stefan

    2013-10-01

    What is the role of higher-order spike correlations for neuronal information processing? Common data analysis methods to address this question are devised for the application to spike recordings from multiple single neurons. Here, we present a new method which evaluates the subthreshold membrane potential fluctuations of one neuron, and infers higher-order correlations among the neurons that constitute its presynaptic population. This has two important advantages: Very large populations of up to several thousands of neurons can be studied, and the spike sorting is obsolete. Moreover, this new approach truly emphasizes the functional aspects of higher-order statistics, since we infer exactly those correlations which are seen by a neuron. Our approach is to represent the subthreshold membrane potential fluctuations as presynaptic activity filtered with a fixed kernel, as it would be the case for a leaky integrator neuron model. This allows us to adapt the recently proposed method CuBIC (cumulant based inference of higher-order correlations from the population spike count; Staude et al., J Comput Neurosci 29(1-2):327-350, 2010c) with which the maximal order of correlation can be inferred. By numerical simulation we show that our new method is reasonably sensitive to weak higher-order correlations, and that only short stretches of membrane potential are required for their reliable inference. Finally, we demonstrate its remarkable robustness against violations of the simplifying assumptions made for its construction, and discuss how it can be employed to analyze in vivo intracellular recordings of membrane potentials.

  13. Passive localization in the deep ocean based on cross-correlation function matching.

    PubMed

    Lei, Zhixiong; Yang, Kunde; Ma, Yuanliang

    2016-06-01

    Passive localization of a sound source in the deep ocean is investigated in this study. The source can be localized by taking advantage of a cross-correlation function matching technique. When a two-sensor vertical array is used in the deep ocean, two types of side lobe curves appear in the ambiguity surface of the localization. The side lobe curves are analytically expressed and they are then used as indicators of the localization result instead of the scanning point with the maximum power. Simulation and experiment demonstrate the performance of the proposed passive localization method. PMID:27369172

  14. Development of an exchange-correlation functional with uncertainty quantification capabilities for density functional theory

    NASA Astrophysics Data System (ADS)

    Aldegunde, Manuel; Kermode, James R.; Zabaras, Nicholas

    2016-04-01

    This paper presents the development of a new exchange-correlation functional from the point of view of machine learning. Using atomization energies of solids and small molecules, we train a linear model for the exchange enhancement factor using a Bayesian approach which allows for the quantification of uncertainties in the predictions. A relevance vector machine is used to automatically select the most relevant terms of the model. We then test this model on atomization energies and also on bulk properties. The average model provides a mean absolute error of only 0.116 eV for the test points of the G2/97 set but a larger 0.314 eV for the test solids. In terms of bulk properties, the prediction for transition metals and monovalent semiconductors has a very low test error. However, as expected, predictions for types of materials not represented in the training set such as ionic solids show much larger errors.

  15. Anxiety symptoms and functional impairment: A systematic review of the correlation between the two measures.

    PubMed

    McKnight, Patrick E; Monfort, Samuel S; Kashdan, Todd B; Blalock, Dan V; Calton, Jenna M

    2016-04-01

    Researchers and clinicians assume a strong, positive correlation between anxiety symptoms and functional impairment. That assumption may be well-justified since diagnostic criteria typically include functional impairment. Still, the relationship remains largely unavailable in any systematic review. Our aim with this paper was to provide empirical evidence for this assumed relationship and to document the observed correlations between anxiety symptom measures and functional impairment measures. Correlations existed for symptoms of six anxiety disorders (Panic Disorder, Agoraphobia, Social Anxiety Disorder, Post-Traumatic Stress Disorder, Generalized Anxiety Disorder, Obsessive Compulsive Disorder) across four functional domains (global, social, occupational, and physical). Overall, the mean of 497 correlations across all disorders and functional domains was modest (r=.34); since the variability between disorders and functional domains tended to be rather large, we explored these correlations further. We presented these results and the potential explanations for unexpected findings along with the clinical and research implications. PMID:26953005

  16. Identification of spatially correlated excitations on a bending plate using the Virtual Fields Method

    NASA Astrophysics Data System (ADS)

    Berry, Alain; Robin, Olivier

    2016-08-01

    This paper aims at identifying the autospectral density and spatial correlation functions of random excitations acting on the surface of a thin plate, from its measured vibration response. The general framework is the Virtual Fields Method (VFM), which was previously applied by the authors to the identification of deterministic excitations on plates. In the present paper, the VFM framework is extended to the case of spatially correlated excitations. It is shown that extraction of the loading power spectral density requires measuring power spectral density functions of transverse displacements and bending curvatures, which can be typically derived from contactless Laser Doppler Vibrometry measurements. The paper details the implementation of the VFM for random excitations, presents numerical simulations and experimental results for diffuse acoustic field excitation of a plate.

  17. Functional monitoring of blood flow dynamics in brain with photon correlation techniques

    NASA Astrophysics Data System (ADS)

    Parthasarathy, Ashwin B.; Gannon, Kimberly; Baker, Wesley B.; Kavuri, Venki; Mullen, Michael T.; Detre, John A.; Yodh, Arjun G.

    2016-03-01

    We introduce a new software correlator approach for continuous high-speed (up to 100 Hz) monitoring of blood flow dynamics with Diffuse Correlation Spectroscopy. The functionality of the high-speed software correlator is demonstrated with measurements of baseline blood flow dynamics. The utility of high-data-rate blood flow monitoring is demonstrated with measurements of cerebral autoregulation dynamics.

  18. Double-layered target and identification method of individual target correlated with evaporation residues

    NASA Astrophysics Data System (ADS)

    Kaji, D.; Morimoto, K.

    2015-08-01

    A double-layered target system and an identification method (target ID) for individual targets mounted on a rotating wheel using correlation with evaporation residues were newly developed for the study of superheavy elements (SHE). The target system can be used in three modes: conventional single-layered mode, double-layered mode, and energy-degrader mode. The target ID method can be utilized for masking a target, measuring an excitation function without changing the beam energy from the accelerator, and searching for SHE nuclides using multiple targets during a single irradiation.

  19. Executive Functions after Age 5: Changes and Correlates

    ERIC Educational Resources Information Center

    Best, John R.; Miller, Patricia H.; Jones, Lara L.

    2009-01-01

    Research and theorizing on executive function (EF) in childhood has been disproportionately focused on preschool age children. This review paper outlines the importance of examining EF throughout childhood, and even across the lifespan. First, examining EF in older children can address the question of whether EF is a unitary construct. The…

  20. Reliability and validity of the sideways step test and its correlation with motor function after stroke

    PubMed Central

    Pang, Eva Y.F.; Fong, Shirley S.M.; Tse, Mimi M.Y.; Tam, Eric W.C.; Ng, Shamay SM; So, Billy C.L.

    2015-01-01

    [Purpose] This study investigated the intra-rater, inter-rater and test-retest reliability of the sideways step test (SST), its correlation with other indicators of stroke-specific impairment, and the cut-off count best discriminating subjects with stroke from their healthy counterparts. [Subjects and Methods] Forty-three subjects with chronic stroke and 41 healthy subjects older than 50 years participated in this study. The SST was administered along with the Fugl-Meyer motor assessment for the lower extremities (FMA-LE), the five-times sit to stand (5TSTS) test, the Berg Balance Scale (BBS), the movement velocity (MVL) by the limits of stability (LOS) test, the ten-metre walk (10mW) test, the timed “Up and Go” (TUG) test and the Activities-specific Balance Confidence (ABC) scale. [Results] The SST showed good to excellent intra-rater, inter-rater and test-retest reliability. The SST counts correlated with 5TSTS times, 10mW times, TUG times, and the FMA-LE and BBS scores. SST counts of 11 for the paretic leg and 14 for the non-paretic leg were found to distinguish the healthy adults from subjects with stroke. [Conclusion] The sideways step test is a reliable clinical test, which correlates with the functional strength, gait speed, and functional balance of people with chronic stroke. PMID:26180332

  1. Large covariance matrices: smooth models from the two-point correlation function

    NASA Astrophysics Data System (ADS)

    O'Connell, Ross; Eisenstein, Daniel; Vargas, Mariana; Ho, Shirley; Padmanabhan, Nikhil

    2016-11-01

    We introduce a new method for estimating the covariance matrix for the galaxy correlation function in surveys of large-scale structure. Our method combines simple theoretical results with a realistic characterization of the survey to dramatically reduce noise in the covariance matrix. For example, with an investment of only ≈1000 CPU hours we can produce a model covariance matrix with noise levels that would otherwise require ˜35 000 mocks. Non-Gaussian contributions to the model are calibrated against mock catalogues, after which the model covariance is found to be in impressive agreement with the mock covariance matrix. Since calibration of this method requires fewer mocks than brute force approaches, we believe that it could dramatically reduce the number of mocks required to analyse future surveys.

  2. Correlation between SD-OCT, immunocytochemistry and functional findings in an animal model of retinal degeneration

    PubMed Central

    Cuenca, Nicolás; Fernández-Sánchez, Laura; Sauvé, Yves; Segura, Francisco J.; Martínez-Navarrete, Gema; Tamarit, José Manuel; Fuentes-Broto, Lorena; Sanchez-Cano, Ana; Pinilla, Isabel

    2014-01-01

    Purpose: The P23H rhodopsin mutation is an autosomal dominant cause of retinitis pigmentosa (RP). The degeneration can be tracked using different anatomical and functional methods. In our case, we evaluated the anatomical changes using Spectral-Domain Optical Coherence Tomography (SD-OCT) and correlated the findings with retinal thickness values determined by immunocytochemistry.Methods: Pigmented rats heterozygous for the P23H mutation, with ages between P18 and P180 were studied. Function was assessed by means of optomotor testing and ERGs. Retinal thicknesses measurements, autofluorescence and fluorescein angiography were performed using Spectralis OCT. Retinas were studied by means of immunohistochemistry. Results: Between P30 and P180, visual acuity decreased from 0.500 to 0.182 cycles per degree (cyc/deg) and contrast sensitivity decreased from 54.56 to 2.98 for a spatial frequency of 0.089 cyc/deg. Only cone-driven b-wave responses reached developmental maturity. Flicker fusions were also comparable at P29 (42 Hz). Double flash-isolated rod-driven responses were already affected at P29. Photopic responses revealed deterioration after P29.A reduction in retinal thicknesses and morphological modifications were seen in OCT sections. Statistically significant differences were found in all evaluated thicknesses. Autofluorescence was seen in P23H rats as sparse dots. Immunocytochemistry showed a progressive decrease in the outer nuclear layer (ONL), and morphological changes. Although anatomical thickness measures were significantly lower than OCT values, there was a very strong correlation between the values measured by both techniques.Conclusions: In pigmented P23H rats, a progressive deterioration occurs in both retinal function and anatomy. Anatomical changes can be effectively evaluated using SD-OCT and immunocytochemistry, with a good correlation between their values, thus making SD-OCT an important tool for research in retinal degeneration. PMID:25565976

  3. Executive Functions after Age 5: Changes and Correlates

    PubMed Central

    Best, John R.; Miller, Patricia H.; Jones, Lara L.

    2009-01-01

    Research and theorizing on executive function (EF) in childhood has been disproportionately focused on preschool age children. This review paper outlines the importance of examining EF throughout childhood, and even across the lifespan. First, examining EF in older children can address the question of whether EF is a unitary construct. The relations among the EF components, particularly as they are recruited for complex tasks, appear to change over the course of development. Second, much of the development of EF, especially working memory, shifting, and planning, occurs after age 5. Third, important applications of EF research concern the role of school-age children’s EF in various aspects of school performance, as well as social functioning and emotional control. Future research needs to examine a more complete developmental span, from early childhood through late adulthood, in order to address developmental issues adequately. PMID:20161467

  4. Assessment of density-functional approximations: Long-range correlations and self-interaction effects

    SciTech Connect

    Jung, J.; Alvarellos, J.E.; Garcia-Gonzalez, P.; Godby, R.W.

    2004-05-01

    The complex nature of electron-electron correlations is made manifest in the very simple but nontrivial problem of two electrons confined within a sphere. The description of highly nonlocal correlation and self-interaction effects by widely used local and semilocal exchange-correlation energy density functionals is shown to be unsatisfactory in most cases. Even the best such functionals exhibit significant errors in the Kohn-Sham potentials and density profiles.

  5. Measurement of the space-time correlation function of thermal acoustic radiation

    NASA Astrophysics Data System (ADS)

    Passechnik, V. I.; Anosov, A. A.; Barabanenkov, Yu. N.; Sel'Sky, A. G.

    2003-09-01

    The space-time correlation function of thermal acoustic radiation pressure is measured for a stationary heated source (a narrow plasticine plate). The correlation dependence is obtained by the multiplication of two signals shifted in time with respect to each other and measured by two receivers. The dependence exhibits an oscillating behavior and changes sign when the source is displaced by half the spatial period of the correlation function.

  6. Automated method and system for the alignment and correlation of images from two different modalities

    DOEpatents

    Giger, Maryellen L.; Chen, Chin-Tu; Armato, Samuel; Doi, Kunio

    1999-10-26

    A method and system for the computerized registration of radionuclide images with radiographic images, including generating image data from radiographic and radionuclide images of the thorax. Techniques include contouring the lung regions in each type of chest image, scaling and registration of the contours based on location of lung apices, and superimposition after appropriate shifting of the images. Specific applications are given for the automated registration of radionuclide lungs scans with chest radiographs. The method in the example given yields a system that spatially registers and correlates digitized chest radiographs with V/Q scans in order to correlate V/Q functional information with the greater structural detail of chest radiographs. Final output could be the computer-determined contours from each type of image superimposed on any of the original images, or superimposition of the radionuclide image data, which contains high activity, onto the radiographic chest image.

  7. High noise correlation between the functionally connected neurons in emergent V1 microcircuits.

    PubMed

    Bharmauria, Vishal; Bachatene, Lyes; Cattan, Sarah; Chanauria, Nayan; Rouat, Jean; Molotchnikoff, Stéphane

    2016-02-01

    Neural correlations (noise correlations and cross-correlograms) are widely studied to infer functional connectivity between neurons. High noise correlations between neurons have been reported to increase the encoding accuracy of a neuronal population; however, low noise correlations have also been documented to play a critical role in cortical microcircuits. Therefore, the role of noise correlations in neural encoding is highly debated. To this aim, through multi-electrodes, we recorded neuronal ensembles in the primary visual cortex of anaesthetized cats. By computing cross-correlograms, we divulged the functional network (microcircuit) between neurons within an ensemble in relation to a specific orientation. We show that functionally connected neurons systematically exhibit higher noise correlations than functionally unconnected neurons in a microcircuit that is activated in response to a particular orientation. Furthermore, the mean strength of noise correlations for the connected neurons increases steeply than the unconnected neurons as a function of the resolution window used to calculate noise correlations. We suggest that neurons that display high noise correlations in emergent microcircuits feature functional connections which are inevitable for information encoding in the primary visual cortex.

  8. Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method

    SciTech Connect

    Usvyat, Denis

    2013-11-21

    Theory and implementation of the periodic local MP2-F12 method in the 3*A fixed-amplitude ansatz is presented. The method is formulated in the direct space, employing local representation for the occupied, virtual, and auxiliary orbitals in the form of Wannier functions (WFs), projected atomic orbitals (PAOs), and atom-centered Gaussian-type orbitals, respectively. Local approximations are introduced, restricting the list of the explicitly correlated pairs, as well as occupied, virtual, and auxiliary spaces in the strong orthogonality projector to the pair-specific domains on the basis of spatial proximity of respective orbitals. The 4-index two-electron integrals appearing in the formalism are approximated via the direct-space density fitting technique. In this procedure, the fitting orbital spaces are also restricted to local fit-domains surrounding the fitted densities. The formulation of the method and its implementation exploits the translational symmetry and the site-group symmetries of the WFs. Test calculations are performed on LiH crystal. The results show that the periodic LMP2-F12 method substantially accelerates basis set convergence of the total correlation energy, and even more so the correlation energy differences. The resulting energies are quite insensitive to the resolution-of-the-identity domain sizes and the quality of the auxiliary basis sets. The convergence with the orbital domain size is somewhat slower, but still acceptable. Moreover, inclusion of slightly more diffuse functions, than those usually used in the periodic calculations, improves the convergence of the LMP2-F12 correlation energy with respect to both the size of the PAO-domains and the quality of the orbital basis set. At the same time, the essentially diffuse atomic orbitals from standard molecular basis sets, commonly utilized in molecular MP2-F12 calculations, but problematic in the periodic context, are not necessary for LMP2-F12 treatment of crystals.

  9. Alexithymia in personality disorders: correlations with symptoms and interpersonal functioning.

    PubMed

    Nicolò, Giuseppe; Semerari, Antonio; Lysaker, Paul H; Dimaggio, Giancarlo; Conti, Laura; D'Angerio, Stefania; Procacci, Michele; Popolo, Raffaele; Carcione, Antonino

    2011-11-30

    Impairment in the ability to recognize and make sense of emotions has been hypothesized to be present in a sub-sample of people suffering from personality disorder (PD). In particular it is possible that difficulty recognizing and expressing feelings, or alexithymia, is related to many of the symptoms and problems in making sense of social interactions which are hallmarks of PD. In this study we measured levels of alexithymia with the Toronto Alexithymia Scale-20 and explored its correlations with the overall presence of PD and different PD diagnoses, symptoms, and interpersonal difficulties. Results were largely consistent with the hypothesis. Higher levels of alexithymia were related to high levels of global psychopathology and with dysfunctional representation of interpersonal relations. A sub-sample of patients, mostly suffering from avoidant, dependent, passive-aggressive and depressive PD, had alexithymic features and, in particular reported difficulties describing their feelings to others. A patient with cluster B PD featured no alexithymia. Implications of this study for future research and treatment are discussed.

  10. Investigating short-range magnetism in strongly correlated materials via magnetic pair distribution function analysis and ab initio theory

    NASA Astrophysics Data System (ADS)

    Frandsen, Benjamin; Page, Katharine; Brunelli, Michela; Staunton, Julie; Billinge, Simon

    Short-range magnetic correlations are known to exist in a variety of strongly correlated electron systems, but our understanding of the role they play is challenged by the difficulty of experimentally probing such correlations. Magnetic pair distribution function (mPDF) analysis is a newly developed neutron total scattering method that can reveal short-range magnetic correlations directly in real space, and may therefore help ameliorate this difficulty. We present temperature-dependent mPDF measurements of the short-range magnetic correlations in the paramagnetic phase of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. We observe significant correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range-ordered spin arrangement. With no free parameters, ab initio calculations using the self-interaction-corrected local spin density approximation of density functional theory quantitatively reproduce the magnetic correlations to a high degree of accuracy. These results yield valuable insight into the magnetic exchange in MnO and showcase the utility of the mPDF technique for studying magnetic properties of strongly correlated electron systems.

  11. Using the GVB Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairs.

    PubMed

    Filatov, Michael; Martínez, Todd J; Kim, Kwang S

    2016-08-21

    Ensemble density functional theory (DFT) furnishes a rigorous theoretical framework for describing the non-dynamic electron correlation arising from (near) degeneracy of several electronic configurations. Ensemble DFT naturally leads to fractional occupation numbers (FONs) for several Kohn-Sham (KS) orbitals, which thereby become variational parameters of the methodology. The currently available implementation of ensemble DFT in the form of the spin-restricted ensemble-referenced KS (REKS) method was originally designed for systems with only two fractionally occupied KS orbitals, which was sufficient to accurately describe dissociation of a single chemical bond or the singlet ground state of biradicaloid species. To extend applicability of the method to systems with several dissociating bonds or to polyradical species, more fractionally occupied orbitals must be included in the ensemble description. Here we investigate a possibility of developing the extended REKS methodology with the help of the generalized valence bond (GVB) wavefunction theory. The use of GVB enables one to derive a simple and physically transparent energy expression depending explicitly on the FONs of several KS orbitals. In this way, a version of the REKS method with four electrons in four fractionally occupied orbitals is derived and its accuracy in the calculation of various types of strongly correlated molecules is investigated. We propose a possible scheme to ameliorate the partial size-inconsistency that results from perfect spin-pairing. We conjecture that perfect pairing natural orbital (NO) functionals of reduced density matrix functional theory (RDMFT) should also display partial size-inconsistency. PMID:26947515

  12. Correlation of coronary artery stenosis evaluation with left heart structure and function by multi-slice computed tomography.

    PubMed

    Song, L N; Cao, A D; Niu, Y J; Liu, N

    2014-08-07

    The aim of this study was to determine the impact of multi-slice computed tomography (MSCT) evaluation of coronary artery stenosis on left heart structure and systolic function. Coronary artery CT angiography was performed in 200 patients diagnosed with coronary heart disease, and then according to the AHA coronary artery 17-segment fractionation method, the Gensini score (GS) was determined for every narrow segment, and one-stop assessment of the correlation between left heart structure and function was performed. After the grouping of GS quartiles from low to high, there were differences between different patients with regard to LVDD, LADD, LVEDV, LVESV, MM, LVEF, and FS, while no difference in SV and CO. GS showed linear negative correlation with LVEF and FS, and linear positive correlation with LVDD, LADD, LVEDV, LVESV, and MM, while no correlation with SV and CO. That is, GS of coronary artery stenosis was negatively correlated with left ventricular systolic function and positively correlated with myocardial mass. The narrower the coronary artery, the worse the cardiac function and the higher the myocardial hypertrophy. Coronary artery stenosis was one of the important causes of the decrease in left ventricular systolic function and cardiac remodeling.

  13. Structural methods for studying IRES function.

    PubMed

    Kieft, Jeffrey S; Costantino, David A; Filbin, Megan E; Hammond, John; Pfingsten, Jennifer S

    2007-01-01

    Internal ribosome entry sites (IRESs) substitute RNA sequences for some or all of the canonical translation initiation protein factors. Therefore, an important component of understanding IRES function is a description of the three-dimensional structure of the IRES RNA underlying this mechanism. This includes determining the degree to which the RNA folds, the global RNA architecture, and higher resolution information when warranted. Knowledge of the RNA structural features guides ongoing mechanistic and functional studies. In this chapter, we present a roadmap to structurally characterize a folded RNA, beginning from initial studies to define the overall architecture and leading to high-resolution structural studies. The experimental strategy presented here is not unique to IRES RNAs but is adaptable to virtually any RNA of interest, although characterization of RNA-protein interactions requires additional methods. Because IRES RNAs have a specific function, we present specific ways in which the data are interpreted to gain insight into that function. We provide protocols for key experiments that are particularly useful for studying IRES RNA structure and that provide a framework onto which additional approaches are integrated. The protocols we present are solution hydroxyl radical probing, RNase T1 probing, native gel electrophoresis, sedimentation velocity analytical ultracentrifugation, and strategies to engineer RNA for crystallization and to obtain initial crystals. PMID:17913644

  14. Do changes in hand grip strength correlate with shoulder rotator cuff function?

    PubMed Central

    Herrington, Lee; Hoyle, Rebecca; Prescott, Evie; Bellamy, Nathan

    2016-01-01

    Background Shoulder pain as a result of rotator cuff pathology is one of the most common musculoskeletal complaints presenting within primary care. Assessment of hand grip strength has been proposed as an indicator of rotator cuff function. This experimental study assessed the relationship between grip strength and shoulder lateral rotator muscle strength in a number of different shoulder positions, aiming to investigate whether such a relationship existed and whether grip strength could be used as a functional assessment tool for the posterior cuff. Methods Twenty-seven healthy, physically active, volunteers (19 males, eight females) with no history of shoulder, upper limb or neck injury comprised the study group. The mean (SD) age was 19.8 (5.7) years (range 18 years to 23 years). Grip strength (measured with hand grip dynamometer) and lateral rotator strength (measured with a hand held dynamometer) was measured at neutral, 90° abduction, and 90° abduction with 90° external rotation. Results The correlation between grip strength and shoulder lateral rotation strength ranged between r = 0.91 (r2 = 0.84) and r = 0.72 (r2 = 0.52) across all positions. Conclusions A strong correlation between grip strength and lateral rotator strength was shown at all positions for both left and right hands, suggesting that assessment of grip strength could be used as a rotator cuff monitor of recruitment function. PMID:27583010

  15. Evaluation of sliding window correlation performance for characterizing dynamic functional connectivity and brain states.

    PubMed

    Shakil, Sadia; Lee, Chin-Hui; Keilholz, Shella Dawn

    2016-06-01

    A promising recent development in the study of brain function is the dynamic analysis of resting-state functional MRI scans, which can enhance understanding of normal cognition and alterations that result from brain disorders. One widely used method of capturing the dynamics of functional connectivity is sliding window correlation (SWC). However, in the absence of a "gold standard" for comparison, evaluating the performance of the SWC in typical resting-state data is challenging. This study uses simulated networks (SNs) with known transitions to examine the effects of parameters such as window length, window offset, window type, noise, filtering, and sampling rate on the SWC performance. The SWC time course was calculated for all node pairs of each SN and then clustered using the k-means algorithm to determine how resulting brain states match known configurations and transitions in the SNs. The outcomes show that the detection of state transitions and durations in the SWC is most strongly influenced by the window length and offset, followed by noise and filtering parameters. The effect of the image sampling rate was relatively insignificant. Tapered windows provide less sensitivity to state transitions than rectangular windows, which could be the result of the sharp transitions in the SNs. Overall, the SWC gave poor estimates of correlation for each brain state. Clustering based on the SWC time course did not reliably reflect the underlying state transitions unless the window length was comparable to the state duration, highlighting the need for new adaptive window analysis techniques. PMID:26952197

  16. Modified Interior Distance Functions (Theory and Methods)

    NASA Technical Reports Server (NTRS)

    Polyak, Roman A.

    1995-01-01

    In this paper we introduced and developed the theory of Modified Interior Distance Functions (MIDF's). The MIDF is a Classical Lagrangian (CL) for a constrained optimization problem which is equivalent to the initial one and can be obtained from the latter by monotone transformation both the objective function and constraints. In contrast to the Interior Distance Functions (IDF's), which played a fundamental role in Interior Point Methods (IPM's), the MIDF's are defined on an extended feasible set and along with center, have two extra tools, which control the computational process: the barrier parameter and the vector of Lagrange multipliers. The extra tools allow to attach to the MEDF's very important properties of Augmented Lagrangeans. One can consider the MIDFs as Interior Augmented Lagrangeans. It makes MIDF's similar in spirit to Modified Barrier Functions (MBF's), although there is a fundamental difference between them both in theory and methods. Based on MIDF's theory, Modified Center Methods (MCM's) have been developed and analyzed. The MCM's find an unconstrained minimizer in primal space and update the Lagrange multipliers, while both the center and the barrier parameter can be fixed or updated at each step. The MCM's convergence was investigated, and their rate of convergence was estimated. The extension of the feasible set and the special role of the Lagrange multipliers allow to develop MCM's, which produce, in case of nondegenerate constrained optimization, a primal and dual sequences that converge to the primal-dual solutions with linear rate, even when both the center and the barrier parameter are fixed. Moreover, every Lagrange multipliers update shrinks the distance to the primal dual solution by a factor 0 less than gamma less than 1 which can be made as small as one wants by choosing a fixed interior point as a 'center' and a fixed but large enough barrier parameter. The numericai realization of MCM leads to the Newton MCM (NMCM). The

  17. Melanoma cell galectin-1 ligands functionally correlate with malignant potential*

    PubMed Central

    Yazawa, Erika M.; Geddes-Sweeney, Jenna E.; Cedeno-Laurent, Filiberto; Walley, Kempland C.; Barthel, Steven R.; Opperman, Matthew J.; Liang, Jennifer; Lin, Jennifer Y.; Schatton, Tobias; Laga, Alvaro C.; Mihm, Martin C.; Qureshi, Abrar A.; Widlund, Hans R.; Murphy, George F.; Dimitroff, Charles J.

    2015-01-01

    Galectin-1 (Gal-1)-binding to Gal-1 ligands on immune and endothelial cells can influence melanoma development through dampening anti-tumor immune responses and promoting angiogenesis. However, whether Gal-1 ligands are functionally expressed on melanoma cells to help control intrinsic malignant features remains poorly understood. Here, we analyzed expression, identity and function of Gal-1 ligands in melanoma progression. Immunofluorescent analysis of benign and malignant human melanocytic neoplasms revealed that Gal-1 ligands were abundant in severely-dysplastic nevi as well as in primary and metastatic melanomas. Biochemical assessments indicated that melanoma cell adhesion molecule (MCAM) was a major Gal-1 ligand on melanoma cells that was largely dependent on its N-glycans. Other melanoma cell Gal-1 ligand activity conferred by O-glycans was negatively regulated by α2,6 sialyltransferase ST6GalNAc2. In Gal-1-deficient mice, MCAM-silenced (MCAMKD) or ST6GalNAc2-overexpressing (ST6O/E) melanoma cells exhibited slower growth rates, underscoring a key role for melanoma cell Gal-1 ligands and host Gal-1 in melanoma growth. Further analysis of MCAMKD or ST6O/E melanoma cells in cell migration assays indicated that Gal-1 ligand-dependent melanoma cell migration was severely inhibited. These findings provide a refined perspective on Gal-1 – melanoma cell Gal-1 ligand interactions as contributors to melanoma malignancy. PMID:25756799

  18. Study on ADI CD bias correlating ABC function

    NASA Astrophysics Data System (ADS)

    Deng, Guogui; Hao, Jingan; Xing, Bin; Jiang, Yuntao; Li, Gaorong; Zhang, Qiang; Yue, Liwan; Zu, Yanlei; Hu, Huayong; Liu, Chang; Shen, Manhua; Zhang, Shijian; He, Weiming; Zhang, Nannan; Lin, Yi-Shih; Wu, Qiang; Shi, Xuelong

    2015-03-01

    As the technology node of semiconductor industry is being driven into more advanced 28 nm and beyond, the critical dimension (CD) error budget at after-development inspection (ADI) stage and its control are more and more important and difficult (1-4). 1 nm or even 0.5 nm CD difference is critical for process control. 0.5~1 nm drift of poly linewidth will result in a detectable off-target drift of device performance. The 0.5~1 nm CD drift of hole or metal linewidth on the backend interconnecting layers can potentially contribute to the bridging of metal patterns to vias, and thereby impact yield. In this paper, we studied one function in the scanning electron microscope (SEM) measurement, i.e. the adjustment of brightness and contrast (ABC). We revealed how the step of addressing focus and even the choice of addressing pattern may bring in a systematic error into the CD measurement. This provides a unique insight in the CD measurement and the measurement consistency of through-pitch (TP) patterns and functional patterns.

  19. Modeling Light Scattering in Tissue as Continuous Random Media Using a Versatile Refractive Index Correlation Function

    PubMed Central

    Rogers, Jeremy D.; Radosevich, Andrew J.; Yi, Ji; Backman, Vadim

    2014-01-01

    Optical interactions with biological tissue provide powerful tools for study, diagnosis, and treatment of disease. When optical methods are used in applications involving tissue, scattering of light is an important phenomenon. In imaging modalities, scattering provides contrast, but also limits imaging depth, so models help optimize an imaging technique. Scattering can also be used to collect information about the tissue itself providing diagnostic value. Therapies involving focused beams require scattering models to assess dose distribution. In all cases, models of light scattering in tissue are crucial to correctly interpreting the measured signal. Here, we review a versatile model of light scattering that uses the Whittle–Matérn correlation family to describe the refractive index correlation function Bn (rd). In weakly scattering media such as tissue, Bn (rd) determines the shape of the power spectral density from which all other scattering characteristics are derived. This model encompasses many forms such as mass fractal and the Henyey–Greenstein function as special cases. We discuss normalization and calculation of optical properties including the scattering coefficient and anisotropy factor. Experimental methods using the model are also described to quantify tissue properties that depend on length scales of only a few tens of nanometers. PMID:25587211

  20. Evaluation of Test/Analysis Correlation Methods for Crash Applications

    NASA Technical Reports Server (NTRS)

    Lyle, Karen H.; Bark, Lindley W.; Jackson, Karen E.

    2001-01-01

    A project has been initiated to improve crash test and analysis correlation. The work in this paper concentrated on the test and simulation results for a fuselage section. Two drop tests of the section were conducted. The first test was designed to excite the linear structural response for comparison with finite element modal analysis results. The second test was designed to provide data for correlation with crash simulations. An MSC.Dytran model was developed to generate nonlinear transient dynamic results. Following minor modifications, the same model was executed in MSC.Nastran to generate modal analysis results. The results presented in this paper concentrate on evaluation of correlation methodologies for crash test data and finite element simulation results.

  1. Cluster pair correlation function of simple fluids: energetic connectivity criteria.

    PubMed

    Pugnaloni, Luis A; Zarragoicoechea, Guillermo J; Vericat, Fernando

    2006-11-21

    We consider the clustering of Lennard-Jones particles by using an energetic connectivity criterion proposed long ago by Hill [J. Chem. Phys. 32, 617 (1955)] for the bond between pairs of particles. The criterion establishes that two particles are bonded (directly connected) if their relative kinetic energy is less than minus their relative potential energy. Thus, in general, it depends on the direction as well as on the magnitude of the velocities and positions of the particles. An integral equation for the pair connectedness function, proposed by two of the authors [Phys. Rev. E 61, R6067 (2000)], is solved for this criterion and the results are compared with those obtained from molecular dynamics simulations and from a connectedness Percus-Yevick-type integral equation for a velocity-averaged version of Hill's energetic criterion.

  2. Bootstrapping conformal field theories with the extremal functional method.

    PubMed

    El-Showk, Sheer; Paulos, Miguel F

    2013-12-13

    The existence of a positive linear functional acting on the space of (differences between) conformal blocks has been shown to rule out regions in the parameter space of conformal field theories (CFTs). We argue that at the boundary of the allowed region the extremal functional contains, in principle, enough information to determine the dimensions and operator product expansion (OPE) coefficients of an infinite number of operators appearing in the correlator under analysis. Based on this idea we develop the extremal functional method (EFM), a numerical procedure for deriving the spectrum and OPE coefficients of CFTs lying on the boundary (of solution space). We test the EFM by using it to rederive the low lying spectrum and OPE coefficients of the two-dimensional Ising model based solely on the dimension of a single scalar quasiprimary--no Virasoro algebra required. Our work serves as a benchmark for applications to more interesting, less known CFTs in the near future. PMID:24483643

  3. Bootstrapping conformal field theories with the extremal functional method.

    PubMed

    El-Showk, Sheer; Paulos, Miguel F

    2013-12-13

    The existence of a positive linear functional acting on the space of (differences between) conformal blocks has been shown to rule out regions in the parameter space of conformal field theories (CFTs). We argue that at the boundary of the allowed region the extremal functional contains, in principle, enough information to determine the dimensions and operator product expansion (OPE) coefficients of an infinite number of operators appearing in the correlator under analysis. Based on this idea we develop the extremal functional method (EFM), a numerical procedure for deriving the spectrum and OPE coefficients of CFTs lying on the boundary (of solution space). We test the EFM by using it to rederive the low lying spectrum and OPE coefficients of the two-dimensional Ising model based solely on the dimension of a single scalar quasiprimary--no Virasoro algebra required. Our work serves as a benchmark for applications to more interesting, less known CFTs in the near future.

  4. PHREATOPHYTE WATER USE ESTIMATED BY EDDY-CORRELATION METHODS.

    USGS Publications Warehouse

    Weaver, H.L.; Weeks, E.P.; Campbell, G.S.; Stannard, D.I.; Tanner, B.D.

    1986-01-01

    Water-use was estimated for three phreatophyte communities: a saltcedar community and an alkali-Sacaton grass community in New Mexico, and a greasewood rabbit-brush-saltgrass community in Colorado. These water-use estimates were calculated from eddy-correlation measurements using three different analyses, since the direct eddy-correlation measurements did not satisfy a surface energy balance. The analysis that seems to be most accurate indicated the saltcedar community used from 58 to 87 cm (23 to 34 in. ) of water each year. The other two communities used about two-thirds this quantity.

  5. CT densitovolumetry in children with obliterative bronchiolitis: correlation with clinical scores and pulmonary function test results*,**

    PubMed Central

    Mocelin, Helena; Bueno, Gilberto; Irion, Klaus; Marchiori, Edson; Sarria, Edgar; Watte, Guilherme; Hochhegger, Bruno

    2013-01-01

    OBJECTIVE: To determine whether air trapping (expressed as the percentage of air trapping relative to total lung volume [AT%]) correlates with clinical and functional parameters in children with obliterative bronchiolitis (OB). METHODS: CT scans of 19 children with OB were post-processed for AT% quantification with the use of a fixed threshold of −950 HU (AT%950) and of thresholds selected with the aid of density masks (AT%DM). Patients were divided into three groups by AT% severity. We examined AT% correlations with oxygen saturation (SO2) at rest, six-minute walk distance (6MWD), minimum SO2 during the six-minute walk test (6MWT_SO2), FVC, FEV1, FEV1/FVC, and clinical parameters. RESULTS: The 6MWD was longer in the patients with larger normal lung volumes (r = 0.53). We found that AT%950 showed significant correlations (before and after the exclusion of outliers, respectively) with the clinical score (r = 0.72; 0.80), FVC (r = 0.24; 0.59), FEV1 (r = −0.58; −0.67), and FEV1/FVC (r = −0.53; r = −0.62), as did AT%DM with the clinical score (r = 0.58; r = 0.63), SO2 at rest (r = −0.40; r = −0.61), 6MWT_SO2 (r = −0.24; r = −0.55), FVC (r = −0.44; r = −0.80), FEV1 (r = −0.65; r = −0.71), and FEV1/FVC (r = −0.41; r = −0.52). CONCLUSIONS: Our results show that AT% correlates significantly with clinical scores and pulmonary function test results in children with OB. PMID:24473764

  6. Correlation of Theory and Function in Well-Defined Bimetallic Electrocatalysts - Final Report

    SciTech Connect

    Crooks, Richard M.

    2014-06-05

    The objective of this research proposal was to correlate the structure of nanoparticles that are comprised of ~100-200 atoms to their electrocatalytic function. This objective was based on the growing body of evidence suggesting that catalytic properties can be tailored through controlled synthesis of nanoparticles. What has been missing from many of these studies, and what we are contributing, is a model catalyst that is sufficiently small, structurally well-defined, and well-characterized that its function can be directly predicted by theory. Specifically, our work seeks to develop a fundamental and detailed understanding of the relationship between the structure of nanoscopic oxygen-reduction catalysts and their function. We assembled a team with expertise in theory, synthesis, and advanced characterization methods to address the primary objective of this project. We anticipated the outcomes of the study to be: (1) a better theoretical understanding of how nanoparticle structure affects catalytic properties; (2) the development of advanced, in-situ and ex-situ, atomic-scale characterization methods that are appropriate for particles containing about 100 atoms; and (3) improved synthetic methods that produce unique nanoparticle structures that can be used to test theoretical predictions. During the project period, we have made excellent progress on all three fronts.

  7. The correlation function for density perturbations in an expanding universe. II - Nonlinear theory

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1977-01-01

    A formalism is developed to find the two-point and higher-order correlation functions for a given distribution of sizes and shapes of perturbations which are randomly placed in three-dimensional space. The perturbations are described by two parameters such as central density and size, and the two-point correlation function is explicitly related to the luminosity function of groups and clusters of galaxies

  8. Monotonically increasing functions of any quantum correlation can make all multiparty states monogamous

    SciTech Connect

    Salini, K.; Prabhu, R.; Sen, Aditi; Sen, Ujjwal

    2014-09-15

    Monogamy of quantum correlation measures puts restrictions on the sharability of quantum correlations in multiparty quantum states. Multiparty quantum states can satisfy or violate monogamy relations with respect to given quantum correlations. We show that all multiparty quantum states can be made monogamous with respect to all measures. More precisely, given any quantum correlation measure that is non-monogamic for a multiparty quantum state, it is always possible to find a monotonically increasing function of the measure that is monogamous for the same state. The statement holds for all quantum states, whether pure or mixed, in all finite dimensions and for an arbitrary number of parties. The monotonically increasing function of the quantum correlation measure satisfies all the properties that are expected for quantum correlations to follow. We illustrate the concepts by considering a thermodynamic measure of quantum correlation, called the quantum work deficit.

  9. Pg-pPg Time Delays from Sparse Networks Using the Time-Frequency Correlation Method

    NASA Astrophysics Data System (ADS)

    Pearce, F.; Lu, R.; Toksoz, M. N.

    2008-12-01

    The arrival times of primary phases generally produce poor estimates of focal depth, particularly for shallow events. While depth phases may be detected at teleseismic distances, no reliable methods currently exist for identifying regional depth phase time delays, such as Pg-pPg. Scattering from crustal heterogeneities obscures the Pg-pPg time delay by producing multiplicative noise within the Pg time window. The theory of Time Reversed Acoustics (TRA) states that the autocorrelation of Pg time windows produces a clear sidelobe at the Pg-pPg time delay. Using large Pg time windows (i.e. including more scattering) and stacking the autocorrelations from an array of receivers improves the reconstruction of the sidelobe at the Pg-pPg time delay. In this paper, we expand the TRA concept to develop the Time-Frequency Correlation (TFC) method for measuring Pg-pPg time delays, which incorporates signal-processing techniques used in Sonar and Radar applications. The TFC method applies a 2D correlation function in time delay and frequency delay to the analytic representation of each Pg time window. Stacking the 2D correlation functions better identifies the sidelobe at the Pg-pPg time delay. Tests of the TFC method on synthetic Pg time windows provide guidance in detecting the Pg-pPg time delays for events with different source time functions, focal depths, and scattering distributions. We apply the TFC method to measure Pg-pPg time delays for 33 local earthquakes from the Southern California Earthquake Data Center (SCEDC) catalog. We include only catalog events with the most accurate locations ('A'), catalog depths between 2 and 16 km (±2 km), and magnitudes between 3.0 and 6.0. For each event, the TFC method uses a station array that is sparse (N < 20), narrow aperture (Δθ < 90°), and located greater than 300 km from the catalog epicenter. The Pg-pPg time delays are converted to focal depths assuming vertical propagation within the SCEDC 3D model at each event

  10. Tree Tensor Network State with Variable Tensor Order: An Efficient Multireference Method for Strongly Correlated Systems.

    PubMed

    Murg, V; Verstraete, F; Schneider, R; Nagy, P R; Legeza, Ö

    2015-03-10

    We study the tree-tensor-network-state (TTNS) method with variable tensor orders for quantum chemistry. TTNS is a variational method to efficiently approximate complete active space (CAS) configuration interaction (CI) wave functions in a tensor product form. TTNS can be considered as a higher order generalization of the matrix product state (MPS) method. The MPS wave function is formulated as products of matrices in a multiparticle basis spanning a truncated Hilbert space of the original CAS-CI problem. These matrices belong to active orbitals organized in a one-dimensional array, while tensors in TTNS are defined upon a tree-like arrangement of the same orbitals. The tree-structure is advantageous since the distance between two arbitrary orbitals in the tree scales only logarithmically with the number of orbitals N, whereas the scaling is linear in the MPS array. It is found to be beneficial from the computational costs point of view to keep strongly correlated orbitals in close vicinity in both arrangements; therefore, the TTNS ansatz is better suited for multireference problems with numerous highly correlated orbitals. To exploit the advantages of TTNS a novel algorithm is designed to optimize the tree tensor network topology based on quantum information theory and entanglement. The superior performance of the TTNS method is illustrated on the ionic-neutral avoided crossing of LiF. It is also shown that the avoided crossing of LiF can be localized using only ground state properties, namely one-orbital entanglement.

  11. Correlates of Executive Functions in Multiple Sclerosis Based on Structural and Functional MR Imaging: Insights from a Multicenter Study.

    PubMed

    Koini, Marisa; Filippi, Massimo; Rocca, Maria A; Yousry, Tarek; Ciccarelli, Olga; Tedeschi, Gioacchino; Gallo, Antonio; Ropele, Stefan; Valsasina, Paola; Riccitelli, Gianna; Damjanovic, Dusan; Muhlert, Nils; Mancini, Laura; Fazekas, Franz; Enzinger, Christian

    2016-09-01

    Purpose To study the concomitant use of structural and functional magnetic resonance (MR) imaging correlates to explain information processing speed (IPS) and executive function (EF) in multiple sclerosis (MS). Materials and Methods Local ethics committee approval was obtained at all sites for this prospective, multicenter study. All subjects provided written informed consent. Twenty-six patients with relapsing-remitting MS and 32 healthy control subjects from four centers underwent structural and functional MR imaging, including a go/no-go task and neuropsychological assessment. Subtests of the Brief Repeatable Battery of Neuropsychological Tests, the Wisconsin Card Sorting Test, and the performance with the functional MR imaging paradigm were used as estimates of IPS and EF. Activation of the thalamus and the inferior frontal gyrus (pars triangularis), thalamic volume, T2 lesion load, and age were used to explain IPS and EF in regression models. Results Compared with control subjects, patients showed increased activation in a frontoparietal network, including both thalami, during the execution of the go/no-go task. Patients had decreased thalamic volume (P < .001). Among tested variables, thalamic volume (β = 0.606, P = .001), together with thalamic activation (β = -0.410, P = .022), were the best predictors of IPS and EF and helped explain 52.7% of the variance in IPS and EF. Conclusion This study highlights the potential of the combined use of functional and morphologic parameters to explain IPS and EF in patients with relapsing-remitting MS and confirms the central role of the thalamus as a relay station in executive functioning. (©) RSNA, 2016. PMID:27002420

  12. Correlates of Executive Functions in Multiple Sclerosis Based on Structural and Functional MR Imaging: Insights from a Multicenter Study.

    PubMed

    Koini, Marisa; Filippi, Massimo; Rocca, Maria A; Yousry, Tarek; Ciccarelli, Olga; Tedeschi, Gioacchino; Gallo, Antonio; Ropele, Stefan; Valsasina, Paola; Riccitelli, Gianna; Damjanovic, Dusan; Muhlert, Nils; Mancini, Laura; Fazekas, Franz; Enzinger, Christian

    2016-09-01

    Purpose To study the concomitant use of structural and functional magnetic resonance (MR) imaging correlates to explain information processing speed (IPS) and executive function (EF) in multiple sclerosis (MS). Materials and Methods Local ethics committee approval was obtained at all sites for this prospective, multicenter study. All subjects provided written informed consent. Twenty-six patients with relapsing-remitting MS and 32 healthy control subjects from four centers underwent structural and functional MR imaging, including a go/no-go task and neuropsychological assessment. Subtests of the Brief Repeatable Battery of Neuropsychological Tests, the Wisconsin Card Sorting Test, and the performance with the functional MR imaging paradigm were used as estimates of IPS and EF. Activation of the thalamus and the inferior frontal gyrus (pars triangularis), thalamic volume, T2 lesion load, and age were used to explain IPS and EF in regression models. Results Compared with control subjects, patients showed increased activation in a frontoparietal network, including both thalami, during the execution of the go/no-go task. Patients had decreased thalamic volume (P < .001). Among tested variables, thalamic volume (β = 0.606, P = .001), together with thalamic activation (β = -0.410, P = .022), were the best predictors of IPS and EF and helped explain 52.7% of the variance in IPS and EF. Conclusion This study highlights the potential of the combined use of functional and morphologic parameters to explain IPS and EF in patients with relapsing-remitting MS and confirms the central role of the thalamus as a relay station in executive functioning. (©) RSNA, 2016.

  13. Can sliding-window correlations reveal dynamic functional connectivity in resting-state fMRI?

    PubMed Central

    Hindriks, R.; Adhikari, M.H.; Murayama, Y.; Ganzetti, M.; Mantini, D.; Logothetis, N.K.; Deco, G.

    2016-01-01

    During the last several years, the focus of research on resting-state functional magnetic resonance imaging (fMRI) has shifted from the analysis of functional connectivity averaged over the duration of scanning sessions to the analysis of changes of functional connectivity within sessions. Although several studies have reported the presence of dynamic functional connectivity (dFC), statistical assessment of the results is not always carried out in a sound way and, in some studies, is even omitted. In this study, we explain why appropriate statistical tests are needed to detect dFC, we describe how they can be carried out and how to assess the performance of dFC measures, and we illustrate the methodology using spontaneous blood-oxygen level-dependent (BOLD) fMRI recordings of macaque monkeys under general anesthesia and in human subjects under resting-state conditions. We mainly focus on sliding-window correlations since these are most widely used in assessing dFC, but also consider a recently proposed non-linear measure. The simulations and methodology, however, are general and can be applied to any measure. The results are twofold. First, through simulations, we show that in typical resting-state sessions of 10 min, it is almost impossible to detect dFC using sliding-window correlations. This prediction is validated by both the macaque and the human data: in none of the individual recording sessions was evidence for dFC found. Second, detection power can be considerably increased by session- or subject-averaging of the measures. In doing so, we found that most of the functional connections are in fact dynamic. With this study, we hope to raise awareness of the statistical pitfalls in the assessment of dFC and how they can be avoided by using appropriate statistical methods. PMID:26631813

  14. Methods of Assessing Replicability in Canonical Correlation Analysis (CCA).

    ERIC Educational Resources Information Center

    King, Jason E.

    Theoretical hypotheses generated from data analysis of a single sample should not be advanced until the replicability issue is treated. At least one of three questions usually arises when evaluating the invariance of results obtained from a canonical correlation analysis (CCA): (1) "Will an effect occur in subsequent studies?"; (2) "Will the size…

  15. Procoagulant and platelet-derived microvesicle absolute counts determined by flow cytometry correlates with a measurement of their functional capacity

    PubMed Central

    Ayers, Lisa; Harrison, Paul; Kohler, Malcolm; Ferry, Berne

    2014-01-01

    Background Flow cytometry is the most commonly used technology to measure microvesicles (MVs). Despite reported limitations of this technique, MV levels obtained using conventional flow cytometry have yielded many clinically relevant findings, such as associations with disease severity and ability to predict clinical outcomes. This study aims to determine if MV enumeration by flow cytometry correlates with a measurement of their functional capacity, as this may explain how flow cytometry generates clinically relevant results. Methods One hundred samples from healthy individuals and patients with obstructive sleep apnoea were analysed by conventional flow cytometry (FACSCalibur) and by three functional MV assays: Zymuphen MP-activity in which data were given as phosphatidylserine equivalent, STA® Phospholipid Procoag Assay expressed as clotting time and Endogenous Thrombin Potential (ETP) reflecting in vitro thrombin generation. Correlations were determined by Spearman correlation. Results Absolute counts of lactadherin+ procoagulant MVs generated by flow cytometry weakly correlated with the results obtained from the Zymuphen MP-activity (r=0.5370, p<0.0001); correlated with ETP (r=0.7444, p<0.0001); negatively correlated with STA® Phospholipid Procoag Assay clotting time (−0.7872, p<0.0001), reflecting a positive correlation between clotting activity and flow cytometry. Levels of Annexin V+ procoagulant and platelet-derived MVs were also associated with functional assays. Absolute counts of MVs derived from other cell types were not correlated with the functional results. Conclusions Quantitative results of procoagulant and platelet-derived MVs from conventional flow cytometry are associated with the functional capability of the MVs, as defined by three functional MV assays. Flow cytometry is a valuable technique for the quantification of MVs from different cellular origins; however, a combination of several analytical techniques may give the most comprehensive

  16. The intrapair electron correlation in natural orbital functional theory

    SciTech Connect

    Piris, M.; Matxain, J. M.; Lopez, X.

    2013-12-21

    A previously proposed [M. Piris, X. Lopez, F. Ruipérez, J. M. Matxain, and J. M. Ugalde, J. Chem. Phys. 134, 164102 (2011)] formulation of the two-particle cumulant, based on an orbital-pairing scheme, is extended here for including more than two natural orbitals. This new approximation is used to reconstruct the two-particle reduced density matrix (2-RDM) constrained to the D, Q, and G positivity necessary conditions of the N-representable 2-RDM. In this way, we have derived an extended version of the Piris natural orbital functional 5 (PNOF5e). An antisymmetrized product of strongly orthogonal geminals with the expansion coefficients explicitly expressed by the occupation numbers is also used to generate the PNOF5e. The theory is applied to the homolytic dissociation of selected diatomic molecules: H{sub 2}, LiH, and Li{sub 2}. The Bader's theory of atoms in molecules is used to analyze the electron density and the presence of non-nuclear maxima in the case of a set of light atomic clusters: Li{sub 2}, Li {sub 3}{sup +}, Li {sub 4}{sup 2+}, and H{sub 3}{sup +}. The improvement of PNOF5e over PNOF5 was observed by visualizing the electron densities.

  17. Physical rehabilitation of paralysed facial muscles: functional and morphological correlates.

    PubMed

    Angelov, Doychin N

    2011-01-01

    Using a combined morphofunctional approach, we recently found that polyinnervation of the neuromuscular junction (NMJ) is the critical factor for recovery of function after transection and suture of the facial nerve. Since polyinnervation is activity-dependent and can be manipulated, we tried to design a clinically feasible therapy by electrical stimulation or by soft tissue massage. First, electrical stimulation was applied to the transected facial nerve or to paralyzed facial muscles. Both procedures did not improve vibrissal motor performance (video-based motion analysis of whisking), failed to diminish polyinnervation, and even reduced the number of innervated NMJ to one-fifth of normal values. In contrast, gentle stroking of the paralyzed vibrissal muscles by hand resulted in full recovery of whisking. Manual stimulation depended on the intact sensory supply of the denervated muscle targets and was also effective after hypoglossal-facial anastomosis, after interpositional nerve grafting, when applied to the orbicularis oculi muscle and after transection and suture of the hypoglossal nerve. From these results, we conclude that manual stimulation is a noninvasive procedure with immediate potential for clinical rehabilitation following facial nerve reconstruction.

  18. Method and apparatus for monitoring dynamic cardiovascular function using n-dimensional representatives of critical functions

    NASA Technical Reports Server (NTRS)

    Westinskow, Dwayne (Inventor); Agutter, James (Inventor); Syroid, Noah (Inventor); Strayer, David (Inventor); Albert, Robert (Inventor); Wachter, S. Blake (Inventor); Drews, Frank (Inventor)

    2010-01-01

    A method, system, apparatus and device for the monitoring, diagnosis and evaluation of the state of a dynamic pulmonary system is disclosed. This method and system provides the processing means for receiving sensed and/or simulated data, converting such data into a displayable object format and displaying such objects in a manner such that the interrelationships between the respective variables can be correlated and identified by a user. This invention provides for the rapid cognitive grasp of the overall state of a pulmonary critical function with respect to a dynamic system.

  19. Random phase approximation correlation energy using a compact representation for linear response functions: application to solids

    NASA Astrophysics Data System (ADS)

    Kaoui, Fawzi; Rocca, Dario

    2016-01-01

    A new approach was recently presented to compute correlation energies within the random phase approximation using Lanczos chains and an optimal basis set (Rocca 2014 J. Chem. Phys. 140 18A501). This novel method avoids the explicit calculation of conduction states and represents linear response functions on a compact auxiliary basis set obtained from the diagonalization of an approximate dielectric matrix that contains only the kinetic energy contribution. Here, we extend this formalism, originally implemented for molecular systems, to treat periodic solids. In particular, the approximate dielectric matrix used to build the auxiliary basis set is generalized to avoid unphysical negative gaps, that make the model inefficient. The numerical convergence of the method is discussed and the accuracy is demonstrated considering a set including three covalently bonded (C, Si, and SiC) and three weakly bonded (Ne, Ar, and Kr) solids.

  20. On the Correlation Functions of the Characteristic Polynomials of the Sparse Hermitian Random Matrices

    NASA Astrophysics Data System (ADS)

    Afanasiev, Ie.

    2016-04-01

    We consider asymptotics of the correlation functions of characteristic polynomials corresponding to random weighted G(n, p/n) Erdős-Rényi graphs with Gaussian weights in the case of finite p and also when p rightarrow infty . It is shown that for finite p the second correlation function demonstrates a kind of transition: when p < 2 it factorizes in the limit n rightarrow infty , while for p > 2 there appears an interval (-λ _*(p), λ _*(p)) such that for λ _0 in (-λ _*(p), λ _*(p)) the second correlation function behaves like that for Gaussian unitary ensemble (GUE), while for λ _0 outside the interval the second correlation function is still factorized. For p rightarrow infty there is also a threshold in the behavior of the second correlation function near λ _0 = ± 2: for p ≪ n^{2/3} the second correlation function factorizes, whereas for p ≫ n^{2/3} it behaves like that for GUE. For any rate of p rightarrow infty the asymptotics of correlation functions of any even order for λ _0 in (-2, 2) coincide with that for GUE.

  1. Calibration of second-order correlation functions for nonstationary sources with a multistart, multistop time-to-digital converter

    SciTech Connect

    Choi, Wonshik; Lee, Moonjoo; Lee, Ye-Ryoung; Park, Changsoon; Lee, Jai-Hyung; An, Kyungwon; Fang-Yen, C.; Dasari, R. R.; Feld, M. S.

    2005-08-15

    A novel high-throughput second-order correlation measurement system is developed that records and makes use of all the arrival times of photons detected at both start and stop detectors. This system is suitable, particularly for a light source having a high photon flux and a long coherence time, since it is more efficient than conventional methods by an amount equal to the product of the count rate and the correlation time of the light source. We have used this system in carefully investigating the dead time effects of detectors and photon counters on the second-order correlation function in the two-detector configuration. For a nonstationary light source, a distortion of the original signal was observed at high photon flux. A systematic way of calibrating the second-order correlation function has been devised by introducing the concept of an effective dead time of the entire measurement system.

  2. Shear wave elastography results correlate with liver fibrosis histology and liver function reserve

    PubMed Central

    Feng, Yan-Hong; Hu, Xiang-Dong; Zhai, Lin; Liu, Ji-Bin; Qiu, Lan-Yan; Zu, Yuan; Liang, Si; Gui, Yu; Qian, Lin-Xue

    2016-01-01

    AIM: To evaluate the correlation of shear wave elastography (SWE) results with liver fibrosis histology and quantitative function reserve. METHODS: Weekly subcutaneous injection of 60% carbon tetrachloride (1.5 mL/kg) was given to 12 canines for 24 wk to induce experimental liver fibrosis, with olive oil given to 2 control canines. At 24 wk, liver condition was evaluated using clinical biochemistry assays, SWE imaging, lidocaine metabolite monoethylglycine-xylidide (MEGX) test, and histologic fibrosis grading. Clinical biochemistry assays were performed at the institutional central laboratory for routine liver function evaluation. Liver stiffness was measured in triplicate from three different intercostal spaces and expressed as mean liver stiffness modulus (LSM). Plasma concentrations of lidocaine and its metabolite MEGX were determined using high-performance liquid chromatography repeated in duplicate. Liver biopsy samples were fixed in 10% formaldehyde, and liver fibrosis was graded using the modified histological activity index Knodell score (F0-F4). Correlations among histologic grading, LSM, and MEGX measures were analyzed with the Pearson linear correlation coefficient. RESULTS: At 24 wk liver fibrosis histologic grading was as follows: F0, n = 2 (control); F1, n = 0; F2, n = 3; F3, n = 7; and F4, n = 2. SWE LSM was positively correlated with histologic grading (r = 0.835, P < 0.001). Specifically, the F4 group had a significantly higher elastic modulus than the F3, F2, and F0 groups (P = 0.002, P = 0.003, and P = 0.006, respectively), and the F3 group also had a significantly higher modulus than the control F0 group (P = 0.039). LSM was negatively associated with plasma MEGX concentrations at 30 min (r = -0.642; P = 0.013) and 60 min (r = -0.651; P = 0.012), time to ½ of the maximum concentration (r = -0.538; P = 0.047), and the area under the curve (r = -0.636; P = 0.014). Multiple comparisons showed identical differences in these three measures

  3. A model study of np tensor correlation effects on the electron scattering response functions

    NASA Astrophysics Data System (ADS)

    Leidemann, W.; Orlandini, G.

    1990-01-01

    The role played by np tensor correlations in the longitudinal and transverse response functions is investigated in the quasi-free region. A model is proposed where the response in plane-wave impulse approximation is modified by introducing responses of strongly correlated deuteron-like pairs. Various pair correlations are studied. The introduction of the pair responses does not lead to a violation of the Coulomb- and the f-sum rules. The results show that tensor correlations shift the strength from the quasi-elastic peak towards higher energy. The additional contributions of meson exchange and isobar currents in the transverse channel can compensate the quenching due to correlations.

  4. A systematic classification of Plasmodium falciparum P-loop NTPases: structural and functional correlation

    PubMed Central

    Gangwar, Deepti; Kalita, Mridul K; Gupta, Dinesh; Chauhan, Virander S; Mohmmed, Asif

    2009-01-01

    Background The P-loop NTPases constitute one of the largest groups of globular protein domains that play highly diverse functional roles in most of the organisms. Even with the availability of nearly 300 different Hidden Markov Models representing the P-loop NTPase superfamily, not many P-loop NTPases are known in Plasmodium falciparum. A number of characteristic attributes of the genome have resulted into the lack of knowledge about this functionally diverse, but important class of proteins. Method In the study, protein sequences with characteristic motifs of NTPase domain (Walker A and Walker B) are computationally extracted from the P. falciparum database. A detailed secondary structure analysis, functional classification, phylogenetic and orthology studies of the NTPase domain of repertoire of 97 P. falciparum P-loop NTPases is carried out. Results Based upon distinct sequence features and secondary structure profile of the P-loop domain of obtained sequences, a cladistic classification is also conceded: nucleotide kinases and GTPases, ABC and SMC family, SF1/2 helicases, AAA+ and AAA protein families. Attempts are made to identify any ortholog(s) for each of these proteins in other Plasmodium sp. as well as its vertebrate host, Homo sapiens. A number of P. falciparum P-loop NTPases that have no homologue in the host, as well as those annotated as hypothetical proteins and lack any characteristic functional domain are identified. Conclusion The study suggests a strong correlation between sequence and secondary structure profile of P-loop domains and functional roles of these proteins and thus provides an opportunity to speculate the role of many hypothetical proteins. The study provides a methodical framework for the characterization of biologically diverse NTPases in the P. falciparum genome. The efforts made in the analysis are first of its kind; and the results augment to explore the functional role of many of these proteins from the parasite that could

  5. Performance of internal covariance estimators for cosmic shear correlation functions

    SciTech Connect

    Friedrich, O.; Seitz, S.; Eifler, T. F.; Gruen, D.

    2015-12-31

    Data re-sampling methods such as the delete-one jackknife are a common tool for estimating the covariance of large scale structure probes. In this paper we investigate the concepts of internal covariance estimation in the context of cosmic shear two-point statistics. We demonstrate how to use log-normal simulations of the convergence field and the corresponding shear field to carry out realistic tests of internal covariance estimators and find that most estimators such as jackknife or sub-sample covariance can reach a satisfactory compromise between bias and variance of the estimated covariance. In a forecast for the complete, 5-year DES survey we show that internally estimated covariance matrices can provide a large fraction of the true uncertainties on cosmological parameters in a 2D cosmic shear analysis. The volume inside contours of constant likelihood in the $\\Omega_m$-$\\sigma_8$ plane as measured with internally estimated covariance matrices is on average $\\gtrsim 85\\%$ of the volume derived from the true covariance matrix. The uncertainty on the parameter combination $\\Sigma_8 \\sim \\sigma_8 \\Omega_m^{0.5}$ derived from internally estimated covariances is $\\sim 90\\%$ of the true uncertainty.

  6. Performance of internal covariance estimators for cosmic shear correlation functions

    DOE PAGESBeta

    Friedrich, O.; Seitz, S.; Eifler, T. F.; Gruen, D.

    2015-12-31

    Data re-sampling methods such as the delete-one jackknife are a common tool for estimating the covariance of large scale structure probes. In this paper we investigate the concepts of internal covariance estimation in the context of cosmic shear two-point statistics. We demonstrate how to use log-normal simulations of the convergence field and the corresponding shear field to carry out realistic tests of internal covariance estimators and find that most estimators such as jackknife or sub-sample covariance can reach a satisfactory compromise between bias and variance of the estimated covariance. In a forecast for the complete, 5-year DES survey we show that internally estimated covariance matrices can provide a large fraction of the true uncertainties on cosmological parameters in a 2D cosmic shear analysis. The volume inside contours of constant likelihood in themore » $$\\Omega_m$$-$$\\sigma_8$$ plane as measured with internally estimated covariance matrices is on average $$\\gtrsim 85\\%$$ of the volume derived from the true covariance matrix. The uncertainty on the parameter combination $$\\Sigma_8 \\sim \\sigma_8 \\Omega_m^{0.5}$$ derived from internally estimated covariances is $$\\sim 90\\%$$ of the true uncertainty.« less

  7. Feasibility of antihydrogen atom containment in helium: a problem of electron-positron correlation investigated by the Monte Carol method

    SciTech Connect

    Jackman, T.M.

    1987-01-01

    A theoretical investigation of the interaction potential between the helium atom and the antihydrogen atom was performed for the purpose of determining the feasibility of antihydrogen atom containment. The interaction potential showed an energy barrier to collapse of this system. A variational estimate of the height of this energy barrier and estimates of lifetime with respect to electron-positron annihilation were determined by the Variational Monte Carlo method. This calculation allowed for an improvement over an SCF result through the inclusion of explicit correlation factors in the trial wave function. An estimate of the correlation energy of this system was determined by the Green's Function Monte Carlo (GFMC) method.

  8. Efficiently accounting for ion correlations in electrokinetic nanofluidic devices using density functional theory.

    PubMed

    Gillespie, Dirk; Khair, Aditya S; Bardhan, Jaydeep P; Pennathur, Sumita

    2011-07-15

    The electrokinetic behavior of nanofluidic devices is dominated by the electrical double layers at the device walls. Therefore, accurate, predictive models of double layers are essential for device design and optimization. In this paper, we demonstrate that density functional theory (DFT) of electrolytes is an accurate and computationally efficient method for computing finite ion size effects and the resulting ion-ion correlations that are neglected in classical double layer theories such as Poisson-Boltzmann. Because DFT is derived from liquid-theory thermodynamic principles, it is ideal for nanofluidic systems with small spatial dimensions, high surface charge densities, high ion concentrations, and/or large ions. Ion-ion correlations are expected to be important in these regimes, leading to nonlinear phenomena such as charge inversion, wherein more counterions adsorb at the wall than is necessary to neutralize its surface charge, leading to a second layer of co-ions. We show that DFT, unlike other theories that do not include ion-ion correlations, can predict charge inversion and other nonlinear phenomena that lead to qualitatively different current densities and ion velocities for both pressure-driven and electro-osmotic flows. We therefore propose that DFT can be a valuable modeling and design tool for nanofluidic devices as they become smaller and more highly charged.

  9. Electron configuration and correlation effects in organometallic molecules from constraint density functional theory

    NASA Astrophysics Data System (ADS)

    Nawa, Kenji; Nakamura, Kohji; Akiyama, Toru; Ito, Tomonori; Weinert, Michael

    2015-03-01

    Interest in single organometallic molecule and that adsorbed on solid surfaces has rapidly increased because of possible novel applications. For molecules with transition metals (TMs), the d-electron configuration is an essential aspect of their electronic and magnetic properties, and correlation effects can not be excluded. Here, we investigate systematically the electron configuration and correlation effects for prototypical organometallic molecules of tridimensional metallocene (TMCp2) and planer phthalocyanine (TMPc). Calculations were carried out based on the constraint density functional theory (DFT) by using the full-potential linearized augmented plane wave method that incorporates an on-site Coulomb interaction correction + U . We find that these correlation effects play a key role in determining the ground state of the electron configuration for the organometallic molecules. The calculated ground states of TMCp2, where TM =Cr, Mn, Fe, Co, and Ni, obtained by constraint DFT with +U reproduce the experimentally determined structures of 3E2 g , 6A1 g , 1A1 g , 2E1 g , and 3A2 g , respectively. Results for the TMPc will be also presented.

  10. Correlation functions of scattering matrix elements in microwave cavities with strong absorption

    NASA Astrophysics Data System (ADS)

    Schäfer, R.; Gorin, T.; Seligman, T. H.; Stöckmann, H.-J.

    2003-03-01

    The scattering matrix was measured for microwave cavities with two antennae. It was analysed in the regime of overlapping resonances. The theoretical description in terms of a statistical scattering matrix and the rescaled Breit-Wigner approximation has been applied to this regime. The experimental results for the auto-correlation function show that the absorption in the cavity walls yields an exponential decay. This behaviour can only be modelled using a large number of weakly coupled channels. In comparison to the auto-correlation functions, the cross-correlation functions of the diagonal S-matrix elements display a more pronounced difference between regular and chaotic systems.

  11. The negativity of Wigner function as a measure of quantum correlations

    NASA Astrophysics Data System (ADS)

    Siyouri, F.; El Baz, M.; Hassouni, Y.

    2016-10-01

    In this paper, we study comparatively the behaviors of Wigner function and quantum correlations for two quasi-Werner states formed with two general bipartite superposed coherent states. We show that the Wigner function can be used to detect and quantify the quantum correlations. However, we show that it is in fact not sensitive to all kinds of quantum correlations but only to entanglement. Then, we analyze the measure of non-classicality of quantum states based on the volume occupied by the negative part of the Wigner function.

  12. Normalization methods in time series of platelet function assays

    PubMed Central

    Van Poucke, Sven; Zhang, Zhongheng; Roest, Mark; Vukicevic, Milan; Beran, Maud; Lauwereins, Bart; Zheng, Ming-Hua; Henskens, Yvonne; Lancé, Marcus; Marcus, Abraham

    2016-01-01

    Abstract Platelet function can be quantitatively assessed by specific assays such as light-transmission aggregometry, multiple-electrode aggregometry measuring the response to adenosine diphosphate (ADP), arachidonic acid, collagen, and thrombin-receptor activating peptide and viscoelastic tests such as rotational thromboelastometry (ROTEM). The task of extracting meaningful statistical and clinical information from high-dimensional data spaces in temporal multivariate clinical data represented in multivariate time series is complex. Building insightful visualizations for multivariate time series demands adequate usage of normalization techniques. In this article, various methods for data normalization (z-transformation, range transformation, proportion transformation, and interquartile range) are presented and visualized discussing the most suited approach for platelet function data series. Normalization was calculated per assay (test) for all time points and per time point for all tests. Interquartile range, range transformation, and z-transformation demonstrated the correlation as calculated by the Spearman correlation test, when normalized per assay (test) for all time points. When normalizing per time point for all tests, no correlation could be abstracted from the charts as was the case when using all data as 1 dataset for normalization. PMID:27428217

  13. Boltzmann-conserving classical dynamics in quantum time-correlation functions: “Matsubara dynamics”

    SciTech Connect

    Hele, Timothy J. H.; Willatt, Michael J.; Muolo, Andrea; Althorpe, Stuart C.

    2015-04-07

    We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or “classical Wigner approximation”) results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their “Matsubara” values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ{sup 2} at ħ{sup 0} (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting “Matsubara” dynamics is inherently classical (since all terms O(ħ{sup 2}) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.

  14. Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics"

    NASA Astrophysics Data System (ADS)

    Hele, Timothy J. H.; Willatt, Michael J.; Muolo, Andrea; Althorpe, Stuart C.

    2015-04-01

    We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or "classical Wigner approximation") results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their "Matsubara" values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ2 at ħ0 (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting "Matsubara" dynamics is inherently classical (since all terms O ( ħ 2 ) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.

  15. Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics".

    PubMed

    Hele, Timothy J H; Willatt, Michael J; Muolo, Andrea; Althorpe, Stuart C

    2015-04-01

    We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or "classical Wigner approximation") results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their "Matsubara" values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ(2) at ħ(0) (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting "Matsubara" dynamics is inherently classical (since all terms O(ħ(2)) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods. PMID:25854224

  16. Variational formulation of perturbative explicitly-correlated coupled-cluster methods.

    PubMed

    Torheyden, Martin; Valeev, Edward F

    2008-06-21

    We present a variational formulation of the recently-proposed CCSD(2)(R12) method [Valeev, Phys. Chem. Chem. Phys., 2008, 10, 106]. The centerpiece of this approach is the CCSD(2)(R12) Lagrangian obtained via Löwdin partitioning of the coupled-cluster singles and doubles (CCSD) Hamiltonian. Extremization of the Lagrangian yields the second-order basis set incompleteness correction for the CCSD energy. We also developed a simpler Hylleraas-type functional that only depends on one set of geminal amplitudes by applying screening approximations. This functional is used to develop a diagonal orbital-invariant version of the method in which the geminal amplitudes are fixed at the values determined by the first-order cusp conditions. Extension of the variational method to include perturbatively the effect of connected triples produces the method that approximates the complete basis-set limit of the standard CCSD plus perturbative triples [CCSD(T)] method. For a set of 20 small closed-shell molecules, the method recovered at least 94.5/97.3% of the CBS CCSD(T) correlation energy with the aug-cc-pVDZ/aug-cc-pVTZ orbital basis set. For 12 isogyric reactions involving these molecules, combining the aug-cc-pVTZ correlation energies with the aug-cc-pVQZ Hartree-Fock energies produces the electronic reaction energies with a mean absolute deviation of 1.4 kJ mol(-1) from the experimental values. The method has the same number of optimized parameters as the corresponding CCSD(T) model, does not require any modification of the coupled-cluster computer program, and only needs a small triple-zeta basis to match the precision of the considerably more expensive standard quintuple-zeta CCSD(T) computation.

  17. Correlation of the summary method with learning styles.

    PubMed

    Sarikcioglu, Levent; Senol, Yesim; Yildirim, Fatos B; Hizay, Arzu

    2011-09-01

    The summary is the last part of the lesson but one of the most important. We aimed to study the relationship between the preference of the summary method (video demonstration, question-answer, or brief review of slides) and learning styles. A total of 131 students were included in the present study. An inventory was prepared to understand the students' learning styles, and a satisfaction questionnaire was provided to determine the summary method selection. The questionnaire and inventory were collected and analyzed. A comparison of the data revealed that the summary method with video demonstration received the highest score among all the methods tested. Additionally, there were no significant differences between learning styles and summary method with video demonstration. We suggest that such a summary method should be incorporated into neuroanatomy lessons. Since anatomy has a large amount of visual material, we think that it is ideally suited for this summary method.

  18. Electronic correlation without double counting via a combination of spin projected Hartree-Fock and density functional theories

    SciTech Connect

    Garza, Alejandro J.; Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E.

    2014-06-28

    Several schemes to avoid the double counting of correlations in methods that merge multireference wavefunctions with density functional theory (DFT) are studied and here adapted to a combination of spin-projected Hartree-Fock (SUHF) and DFT. The advantages and limitations of the new method, denoted SUHF+f{sub c}DFT, are explored through calculations on benchmark sets in which the accounting of correlations is challenging for pure SUHF or DFT. It is shown that SUHF+f{sub c}DFT can greatly improve the description of certain molecular properties (e.g., singlet-triplet energy gaps) which are not improved by simple addition of DFT dynamical correlation to SUHF. However, SUHF+f{sub c}DFT is also shown to have difficulties dissociating certain types of bonds and describing highly charged ions with static correlation. Possible improvements to the current SUHF+f{sub c}DFT scheme are discussed in light of these results.

  19. Sum Rule Constraints and the Quality of Approximate Kubo-Transformed Correlation Functions.

    PubMed

    Hernández de la Peña, Lisandro

    2016-02-11

    In this work, a general protocol for evaluating the quality of approximate Kubo correlation functions of nontrivial systems in many dimensions is discussed. We first note that the generalized deconvolution of the Kubo transformed correlation function onto a time correlation function at a given value τ in imaginary time, such that 0 < τ < βℏ, leads to a series of sum rules applicable to the nth derivative of the Kubo function and whose iterative extension allows us to link derivatives of different order in the corresponding correlation functions. We focus on the case when τ = βℏ/2, for which all deconvolution kernels become real valued functions and their asymptotic behavior at long times exhibits a polynomial divergence. It is then shown that thermally symmetrized static averages, and the averages of the corresponding time derivatives, are ideally suited to investigate the quality of approximate Kubo correlation functions at successively larger (and up to arbitrarily long) times. This overall strategy is illustrated analytically for a harmonic system and numerically for a multidimensional double-well potential and a Lennard-Jones fluid. The analysis includes an assessment of RPMD position autocorrelation results as a function of the number of dimensions in a double-well potential and of the RPMD velocity autocorrelation function of liquid neon at 30 K.

  20. Sum Rule Constraints and the Quality of Approximate Kubo-Transformed Correlation Functions.

    PubMed

    Hernández de la Peña, Lisandro

    2016-02-11

    In this work, a general protocol for evaluating the quality of approximate Kubo correlation functions of nontrivial systems in many dimensions is discussed. We first note that the generalized deconvolution of the Kubo transformed correlation function onto a time correlation function at a given value τ in imaginary time, such that 0 < τ < βℏ, leads to a series of sum rules applicable to the nth derivative of the Kubo function and whose iterative extension allows us to link derivatives of different order in the corresponding correlation functions. We focus on the case when τ = βℏ/2, for which all deconvolution kernels become real valued functions and their asymptotic behavior at long times exhibits a polynomial divergence. It is then shown that thermally symmetrized static averages, and the averages of the corresponding time derivatives, are ideally suited to investigate the quality of approximate Kubo correlation functions at successively larger (and up to arbitrarily long) times. This overall strategy is illustrated analytically for a harmonic system and numerically for a multidimensional double-well potential and a Lennard-Jones fluid. The analysis includes an assessment of RPMD position autocorrelation results as a function of the number of dimensions in a double-well potential and of the RPMD velocity autocorrelation function of liquid neon at 30 K. PMID:26786406

  1. Measuring electrophysiological connectivity by power envelope correlation: a technical review on MEG methods.

    PubMed

    O'Neill, George C; Barratt, Eleanor L; Hunt, Benjamin A E; Tewarie, Prejaas K; Brookes, Matthew J

    2015-11-01

    The human brain can be divided into multiple areas, each responsible for different aspects of behaviour. Healthy brain function relies upon efficient connectivity between these areas and, in recent years, neuroimaging has been revolutionised by an ability to estimate this connectivity. In this paper we discuss measurement of network connectivity using magnetoencephalography (MEG), a technique capable of imaging electrophysiological brain activity with good (~5 mm) spatial resolution and excellent (~1 ms) temporal resolution. The rich information content of MEG facilitates many disparate measures of connectivity between spatially separate regions and in this paper we discuss a single metric known as power envelope correlation. We review in detail the methodology required to measure power envelope correlation including (i) projection of MEG data into source space, (ii) removing confounds introduced by the MEG inverse problem and (iii) estimation of connectivity itself. In this way, we aim to provide researchers with a description of the key steps required to assess envelope based functional networks, which are thought to represent an intrinsic mode of coupling in the human brain. We highlight the principal findings of the techniques discussed, and furthermore, we show evidence that this method can probe how the brain forms and dissolves multiple transient networks on a rapid timescale in order to support current processing demand. Overall, power envelope correlation offers a unique and verifiable means to gain novel insights into network coordination and is proving to be of significant value in elucidating the neural dynamics of the human connectome in health and disease.

  2. Measuring electrophysiological connectivity by power envelope correlation: a technical review on MEG methods

    NASA Astrophysics Data System (ADS)

    O'Neill, George C.; Barratt, Eleanor L.; Hunt, Benjamin A. E.; Tewarie, Prejaas K.; Brookes, Matthew J.

    2015-11-01

    The human brain can be divided into multiple areas, each responsible for different aspects of behaviour. Healthy brain function relies upon efficient connectivity between these areas and, in recent years, neuroimaging has been revolutionised by an ability to estimate this connectivity. In this paper we discuss measurement of network connectivity using magnetoencephalography (MEG), a technique capable of imaging electrophysiological brain activity with good (~5 mm) spatial resolution and excellent (~1 ms) temporal resolution. The rich information content of MEG facilitates many disparate measures of connectivity between spatially separate regions and in this paper we discuss a single metric known as power envelope correlation. We review in detail the methodology required to measure power envelope correlation including (i) projection of MEG data into source space, (ii) removing confounds introduced by the MEG inverse problem and (iii) estimation of connectivity itself. In this way, we aim to provide researchers with a description of the key steps required to assess envelope based functional networks, which are thought to represent an intrinsic mode of coupling in the human brain. We highlight the principal findings of the techniques discussed, and furthermore, we show evidence that this method can probe how the brain forms and dissolves multiple transient networks on a rapid timescale in order to support current processing demand. Overall, power envelope correlation offers a unique and verifiable means to gain novel insights into network coordination and is proving to be of significant value in elucidating the neural dynamics of the human connectome in health and disease.

  3. Entropy correlation distance method. The Euro introduction effect on the Consumer Price Index

    NASA Astrophysics Data System (ADS)

    Miśkiewicz, Janusz

    2010-04-01

    The idea of entropy was introduced in thermodynamics, but it can be used in time series analysis. There are various ways to define and measure the entropy of a system. Here the so called Theil index, which is often used in economy and finance, is applied as it were an entropy measure. In this study the time series are remapped through the Theil index. Then the linear correlation coefficient between the remapped time series is evaluated as a function of time and time window size and the corresponding statistical distance is defined. The results are compared with the the usual correlation distance measure for the time series themselves. As an example this entropy correlation distance method (ECDM) is applied to several series, as those of the Consumer Price Index (CPI) in order to test some so called globalisation processes. Distance matrices are calculated in order to construct two network structures which are next analysed. The role of two different time scales introduced by the Theil index and a correlation coefficient is also discussed. The evolution of the mean distance between the most developed countries is presented and the globalisation periods of the prices discussed. It is finally shown that the evolution of mean distance between the most developed countries on several networks follows the process of introducing the European currency - the Euro. It is contrasted to the GDP based analysis. It is stressed that the entropy correlation distance measure is more suitable in detecting significant changes, like a globalisation process than the usual statistical (correlation based) measure.

  4. Fast Electron Correlation Methods for Molecular Clusters without Basis Set Superposition Errors

    SciTech Connect

    Kamiya, Muneaki; Hirata, So; Valiev, Marat

    2008-02-19

    Two critical extensions to our fast, accurate, and easy-to-implement binary or ternary interaction method for weakly-interacting molecular clusters [Hirata et al. Mol. Phys. 103, 2255 (2005)] have been proposed, implemented, and applied to water hexamers, hydrogen fluoride chains and rings, and neutral and zwitterionic glycine–water clusters with an excellent result for an initial performance assessment. Our original method included up to two- or three-body Coulomb, exchange, and correlation energies exactly and higher-order Coulomb energies in the dipole–dipole approximation. In this work, the dipole moments are replaced by atom-centered point charges determined so that they reproduce the electrostatic potentials of the cluster subunits as closely as possible and also self-consistently with one another in the cluster environment. They have been shown to lead to dramatic improvement in the description of short-range electrostatic potentials not only of large, charge-separated subunits like zwitterionic glycine but also of small subunits. Furthermore, basis set superposition errors (BSSE) known to plague direct evaluation of weak interactions have been eliminated by com-bining the Valiron–Mayer function counterpoise (VMFC) correction with our binary or ternary interaction method in an economical fashion (quadratic scaling n2 with respect to the number of subunits n when n is small and linear scaling when n is large). A new variant of VMFC has also been proposed in which three-body and all higher-order Coulomb effects on BSSE are estimated approximately. The BSSE-corrected ternary interaction method with atom-centered point charges reproduces the VMFC-corrected results of conventional electron correlation calculations within 0.1 kcal/mol. The proposed method is significantly more accurate and also efficient than conventional correlation methods uncorrected of BSSE.

  5. Computation of electronic structure and magnetic properties of strongly correlated materials with LDA+DMFT method

    NASA Astrophysics Data System (ADS)

    Skornyakov, S. L.; Anisimov, V. I.

    2015-04-01

    In this review, we describe general ideas of the LDA+DMFT method which merges dynamical mean-field theory (DMFT) and density functional theory (in particular the local density approximation (LDA)). Nowadays, the LDA+DMFT computational scheme is the most powerful numerical tool for studying physical properties of real materials and chemical compounds. It incorporates the advantage of DMFT to treat the full range of local dynamical Coulomb correlations and the ability of band methods to describe material-specific band dispersion caused by the lattice periodicity. We briefly discuss underlying physical ideas of LDA+DMFT and its mathematical implementation. Then different algorithms applied to solution of the DMFT impurity problem are briefly described. We then give examples of successful applications of the LDA+DMFT method to study spectral and magnetic properties of recently synthesized compounds like pnictide superconductors as well as classic charge-transfer systems NiO and MnO.

  6. A depression network of functionally connected regions discovered via multi-attribute canonical correlation graphs.

    PubMed

    Kang, Jian; Bowman, F DuBois; Mayberg, Helen; Liu, Han

    2016-11-01

    To establish brain network properties associated with major depressive disorder (MDD) using resting-state functional magnetic resonance imaging (Rs-fMRI) data, we develop a multi-attribute graph model to construct a region-level functional connectivity network that uses all voxel level information. For each region pair, we define the strength of the connectivity as the kernel canonical correlation coefficient between voxels in the two regions; and we develop a permutation test to assess the statistical significance. We also construct a network based classifier for making predictions on the risk of MDD. We apply our method to Rs-fMRI data from 20 MDD patients and 20 healthy control subjects in the Predictors of Remission in Depression to Individual and Combined Treatments (PReDICT) study. Using this method, MDD patients can be distinguished from healthy control subjects based on significant differences in the strength of regional connectivity. We also demonstrate the performance of the proposed method using simulationstudies. PMID:27474522

  7. Nonequilibrium fluctuations in metaphase spindles: polarized light microscopy, image registration, and correlation functions

    NASA Astrophysics Data System (ADS)

    Brugués, Jan; Needleman, Daniel J.

    2010-02-01

    Metaphase spindles are highly dynamic, nonequilibrium, steady-state structures. We study the internal fluctuations of spindles by computing spatio-temporal correlation functions of movies obtained from quantitative polarized light microscopy. These correlation functions are only physically meaningful if corrections are made for the net motion of the spindle. We describe our image registration algorithm in detail and we explore its robustness. Finally, we discuss the expression used for the estimation of the correlation function in terms of the nematic order of the microtubules which make up the spindle. Ultimately, studying the form of these correlation functions will provide a quantitative test of the validity of coarse-grained models of spindle structure inspired from liquid crystal physics.

  8. Spontaneous EEG Correlates of Intellectual Functioning in Talented and Handicapped Adolescents.

    ERIC Educational Resources Information Center

    Fischer, Donald G.; And Others

    1982-01-01

    EEG correlates of intellectual functioning in academically handicapped and talented adolescents were investigated. Data from Ertl's Brainwave Analyzer were factor analyzed and used to predict verbal, numerical, reasoning, and spatial abilities and reading and mathematics achievement. Correlational patterns differed by group. Implications for…

  9. Paternal Correlates of Cognitive and Behavioral Functioning in Children with Myelomeningocele

    ERIC Educational Resources Information Center

    Wohlfeiler, Melissa M.; Macias, Michelle M.; Saylor, Conway F.

    2008-01-01

    This study examined paternal correlates of the cognitive and behavioral functioning of children with myelomeningocele, when controlling for maternal and biological/child correlates as possible sources of variance. Participants were 48 parent dyads of children with myelomeningocele (21 males, 27 females) between the ages of 4 and 12 years (mean 8y,…

  10. Correlation study of knee joint proprioception test results using common test methods

    PubMed Central

    Li, Lin; Ji, Zhong-Qiu; Li, Yan-Xia; Liu, Wei-Tong

    2016-01-01

    [Purpose] To study the correlation of the results obtained from different proprioception test methods, namely, the joint angle reset method, the motion minimum threshold measurement method, and the force sense reproduction method, performed on the same subjects’ knees. [Subjects and Methods] Different proprioception test methods, the joint angle reset method, the motion minimum threshold measurement method and the force sense reproduction method were used to test the knees of 30 healthy young men. [Results] Correlations were found in the following descending order from strong to weak: the correlation between the joint angle reset method and the force sense reproduction method (correlation coefficient of 0.41), the correlation between the joint angle reset method and the motion minimum threshold measurement method (correlation coefficient of 0.29), the correlation between the motion minimum threshold measurement method and the force sense reproduce method (correlation coefficient of 0.15). [Conclusion] No correlation was found among the results obtained using the joint angle reset method, the motion minimum threshold measurement method and the force sense reproduction method. Therefore, no correlation was found among the position sense, the motion sense and the force sense represented by these methods. Using the results of only one of the test methods to represent proprioception is one-sided. Force sensation depends more on the sensory input of information from the Golgi tendon organs, motion sense depends more on the input information of the muscle spindles, and position sense relies on the double input information of the muscle spindles and the Golgi tendon organs. PMID:27065533

  11. Rigorous non-Born-Oppenheimer theory: combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory.

    PubMed

    Hoshino, Minoru; Nishizawa, Hiroaki; Nakai, Hiromi

    2011-07-14

    The present study proposes a rigorous non-Born-Oppenheimer theory combining between the explicitly correlated Gaussian (ECG) method and the nuclear orbital plus molecular orbital (NOMO) method. The new method, called ECG-NOMO, adopts the ECG functions between the electronic and nuclear coordinates and, therefore, is capable of describing the nucleus-electron correlation effect accurately. The basic formalism of the ECG-NOMO method is close to the NOMO method, which starts with the Hartree-Fock type equations for NOs and MOs. The present method requires more computational cost than the original NOMO method. However, its cost is significantly smaller than that of the ECG method. The numerical tests was performed for hydrogen-like atoms (H-Ne(9+)) and dihydrogen cations (H(2)(+), D(2)(+) and T(2)(+)), and clarified that the ECG-NOMO method shows the sufficient accuracy. PMID:21766929

  12. On Correlation Functions of BPS Operators in 3d N = 6 Superconformal Theories

    NASA Astrophysics Data System (ADS)

    Liendo, Pedro; Meneghelli, Carlo; Mitev, Vladimir

    2016-07-01

    We introduce a novel harmonic superspace for 3d N=6 superconformal field theories that is tailor made for the study of correlation functions of BPS operators. We calculate a host of two- and three-point functions in full generality and put strong constraints on the form of four-point functions of some selected BPS multiplets. For the four-point function of {1/2} -BPS operators we obtain the associated Ward identities by imposing the absence of harmonic singularities. The latter imply the existence of a solvable subsector in which the correlator becomes topological. This mechanism can be explained by cohomological reduction with respect to a special nilpotent supercharge.

  13. Correlation mapping method of OCT for visualization blood vessels in brain

    NASA Astrophysics Data System (ADS)

    Izotova, O. A.; Kalyanov, A. L.; Lychagov, V. V.; Semyachkina-Glushkovskaya, O. V.

    2013-11-01

    The burning issue in modern medicine is the diagnosis and treatment of various life-threatening diseases, in particular the diseases of brain. One of them is intracranial hemorrhage (ICH). It occurs especially among newborn babies and is hard-diagnosed. In order to understand the nature of the ICH, the microcirculation of blood, which serves key functions within the body, is analyzed. On this basis a series of experiments was done, in the results of which it was showed, that latent stage of ICH is characterized by decrease of venous blood outflow and the loss of sensitivity of sagittal vein to vasoconstrictor effect of adrenaline. So, stress-related changes of the cerebral venous blood flow (CVBF) can be the source of this disease. In this paper registration CVBF was made with the help of commercially available Thorlabs Swept Source OCT System, using the correlation mapping method. In this method values of correlation coefficient of several images are analyzed. In the result of the algorithm the correlation map was obtained. By the resulting map the diameter of vessels was calculated, which is necessary for examination of effects of adrenalin to the vessels and identification symptoms of ICH.

  14. Analytical and empirical fluctuation functions of the EEG microstate random walk - Short-range vs. long-range correlations.

    PubMed

    von Wegner, F; Tagliazucchi, E; Brodbeck, V; Laufs, H

    2016-11-01

    We analyze temporal autocorrelations and the scaling behaviour of EEG microstate sequences during wakeful rest. We use the recently introduced random walk approach and compute its fluctuation function analytically under the null hypothesis of a short-range correlated, first-order Markov process. The empirical fluctuation function and the Hurst parameter H as a surrogate parameter of long-range correlations are computed from 32 resting state EEG recordings and for a set of first-order Markov surrogate data sets with equilibrium distribution and transition matrices identical to the empirical data. In order to distinguish short-range correlations (H ≈ 0.5) from previously reported long-range correlations (H > 0.5) statistically, confidence intervals for H and the fluctuation functions are constructed under the null hypothesis. Comparing three different estimation methods for H, we find that only one data set consistently shows H > 0.5, compatible with long-range correlations, whereas the majority of experimental data sets cannot be consistently distinguished from Markovian scaling behaviour. Our analysis suggests that the scaling behaviour of resting state EEG microstate sequences, though markedly different from uncorrelated, zero-order Markov processes, can often not be distinguished from a short-range correlated, first-order Markov process. Our results do not prove the microstate process to be Markovian, but challenge the approach to parametrize resting state EEG by single parameter models. PMID:27485754

  15. Modeling the two-point correlation of the vector stream function

    NASA Technical Reports Server (NTRS)

    Oberlack, M.; Rogers, M. M.; Reynolds, W. C.

    1994-01-01

    A new model for the two-point vector stream function correlation has been developed using tensor invariant arguments and evaluated by the comparison of model predictions with DNS data for incompressible homogeneous turbulent shear flow. This two-point vector stream function model correlation can then be used to calculate the two-point velocity correlation function and other quantities useful in turbulence modeling. The model assumes that the two-point vector stream function correlation can be written in terms of the separation vector and a new tensor function that depends only on the magnitude of the separation vector. The model has a single free model coefficient, which has been chosen by comparison with the DNS data. The relative error of the model predictions of the two-point vector stream function correlation is only a few percent for a broad range of the model coefficient. Predictions of the derivatives of this correlation, which are of interest in turbulence modeling, may not be this accurate.

  16. Speeding up local correlation methods: System-inherent domains

    NASA Astrophysics Data System (ADS)

    Kats, Daniel

    2016-07-01

    A new approach to determine local virtual space in correlated calculations is presented. It restricts the virtual space in a pair-specific manner on the basis of a preceding approximate calculation adapting automatically to the locality of the studied problem. The resulting pair system-inherent domains are considerably smaller than the starting domains, without significant loss in the accuracy. Utilization of such domains speeds up integral transformations and evaluations of the residual and reduces memory requirements. The system-inherent domains are especially suitable in cases which require high accuracy, e.g., in generation of pair-natural orbitals, or for which standard domains are problematic, e.g., excited-state calculations.

  17. Speeding up local correlation methods: System-inherent domains.

    PubMed

    Kats, Daniel

    2016-07-01

    A new approach to determine local virtual space in correlated calculations is presented. It restricts the virtual space in a pair-specific manner on the basis of a preceding approximate calculation adapting automatically to the locality of the studied problem. The resulting pair system-inherent domains are considerably smaller than the starting domains, without significant loss in the accuracy. Utilization of such domains speeds up integral transformations and evaluations of the residual and reduces memory requirements. The system-inherent domains are especially suitable in cases which require high accuracy, e.g., in generation of pair-natural orbitals, or for which standard domains are problematic, e.g., excited-state calculations. PMID:27394095

  18. Evolution of the galaxy correlation function at redshifts 0.2 < z < 3

    NASA Astrophysics Data System (ADS)

    Sołtan, Andrzej M.

    2016-10-01

    We determine the auto-correlation function (ACF) of galaxies using massive deep galaxy surveys for which distances to individual objects are assessed using photometric redshifts. The method is applied to the 2deg COSMOS survey of ~ 300000 galaxies with i + < 25 and z ph <~ 3. The distance estimates based on photometric redshifts are not sufficiently accurate to be directly used to determine the ACF. Nevertheless, the photometric redshifts carry statistical information on the data distribution on (very) large scales. The investigation of the surface distribution of galaxies in several redshift (=distance) bins allows us to determine the spatial (3D) ACF over the redshift range of 0.2 - 3.2 or look back time of 2.4 - 11.5 Gy.

  19. Correlation Function Approach for Estimating Thermal Conductivity in Highly Porous Fibrous Materials

    NASA Technical Reports Server (NTRS)

    Martinez-Garcia, Jorge; Braginsky, Leonid; Shklover, Valery; Lawson, John W.

    2011-01-01

    Heat transport in highly porous fiber networks is analyzed via two-point correlation functions. Fibers are assumed to be long and thin to allow a large number of crossing points per fiber. The network is characterized by three parameters: the fiber aspect ratio, the porosity and the anisotropy of the structure. We show that the effective thermal conductivity of the system can be estimated from knowledge of the porosity and the correlation lengths of the correlation functions obtained from a fiber structure image. As an application, the effects of the fiber aspect ratio and the network anisotropy on the thermal conductivity is studied.

  20. Vision in Multiple Sclerosis (MS): The Story, Structure-Function Correlations, and Models for Neuroprotection

    PubMed Central

    Sakai, Reiko E.; Feller, Daniel J.; Galetta, Kristin M.; Galetta, Steven L.; Balcer, Laura J.

    2012-01-01

    Visual dysfunction is one of the most common clinical manifestations of multiple sclerosis (MS). Just over a decade ago, MS clincial trials did not include visual outcomes but experts recognized the need for more senstive measures of visual function. Low-contrast letter acuity emerged as the leading candidate to measure visual disability in MS and subsequent studies found low-contrast acuity testing to correlate well with brain MRI lesion burden, visual-evoked potentials (VEPs), quality of life (QOL), and retinal nerve fiber layer (RNFL) loss as measured by optical coherence tomography (OCT). OCT in MS has allowed for assessment of structure-funciton correlations that make the anterior visual pathway and acute optic neuritis (ON) ideal models for testing novel agents for neuroprotection and repair. New therapies that reduce axonal loss by neuroprotective or myelin repair mechanisms can now be assessed non-invasively by OCT and coupled with visual function data. Based on OCT studies in MS, RNFL thickness is reduced significantly among patients (92 µm) versus controls (105 µm), and is particularly reduced in MS eyes with a history of ON (85 µm). Worsening of visual function by a clinically significant ≥7 letters or ~1.5 lines for low-contrast acuity is associated with approximately 4.5 µm reductions in RNFL thickness in MS eyes. Longitudinal studies of OCT have also shown RNFL axonal loss over time that occurs even in the absence of acute ON, and that correlates with clincially meaningful worsening of vision and QOL, even in patients with benign MS. The latest OCT investigations involve high-resolution spectral-domain (SD) OCT with segmentation and measurement of specific retinal layers using computerized algorithms. These methods allow quantitation of ganglion cell (neuronal) layer loss as well as axonal degeneration in MS in vivo. In this review, we examine the data from these studies and ongoing trials that highlight the entity of ON as a model to

  1. Multispin coherences and asymptotic similarity of time correlation functions in solids

    SciTech Connect

    Bodneva, V. L. Lundin, A. A.

    2009-06-15

    The time evolution of multispin (n-particle) correlations in solids (the growth in the number of correlated states) observed by means of multiquantum NMR spectroscopy has been investigated. The contributions from the spins of the immediate environment of each of the spins in the lattice to the time correlation functions that describe this evolution are shown to be mutually asymptotically similar. In this case, the infinite system of coupled ordinary differential equations for the time correlation functions turns out to be equivalent to a diffusion-type partial differential equation with a purely imaginary diffusion coefficient. Its analytical solution has been obtained. It is concluded that the evolution of multispin correlations is probably attributable to multiparticle processes among the spins of a 'distant' (with respect to some spin) environment similar to the processes that shape the NMR absorption line wings.

  2. Accurate Zero Parameter Correlation Energy Functional Obtained from the Homogeneous Electron Gas with an Energy Gap

    NASA Astrophysics Data System (ADS)

    Krieger, J. B.; Chen, Jiqiang; Iafrate, G. J.; Savin, A.

    1998-03-01

    We have obtained an analytic approximation to E_c(r_g, ζ,G) where G is an energy gap separating the occupied and unoccupied states of a homogeneous electron gas for ζ=3D0 and ξ=3D1. When G=3D0, E_c(r_g, ζ) reduces to the usual LSD result. This functional is employed in calculating correlation energies for unpolarized atoms and ions for Z <= 18 by taking G[n]=3D1/8|nabla ln n|^2, which reduces to the ionization energy in the large r limit in an exact Kohn-Sham (KS) theory. The resulting functional is self-interaction-corrected employing a method which is invariant under a unitary transformation. We find that the application of this approach to the calculation of the Ec functional reduces the error in the LSD result by more than 95%. When the value of G is approximately corrected to include the effect of higher lying unoccupied localized states, the resulting values of Ec are within a few percent of the exact results.

  3. Structural and Functional Brain Correlates of Cognitive Impairment in Euthymic Patients with Bipolar Disorder

    PubMed Central

    Goikolea, José M.; Bonnin, Caterina M.; Sarró, Salvador; Segura, Barbara; Amann, Benedikt L.; Monté, Gemma C.; Moro, Noemi; Fernandez-Corcuera, Paloma; Maristany, Teresa; Salvador, Raymond; Vieta, Eduard; Pomarol-Clotet, Edith; McKenna, Peter J.

    2016-01-01

    Introduction Cognitive impairment in the euthymic phase is a well-established finding in bipolar disorder. However, its brain structural and/or functional correlates are uncertain. Methods Thirty-three euthymic bipolar patients with preserved memory and executive function and 28 euthymic bipolar patients with significant memory and/or executive impairment, as defined using two test batteries, the Rivermead Behavioural Memory Test (RBMT) and the Behavioural Assessment of the Dysexecutive Syndrome (BADS), plus 28 healthy controls underwent structural MRI using voxel-based morphometry (VBM). Twenty-seven of the cognitively preserved patients, 23 of the cognitively impaired patients and 28 controls also underwent fMRI during performance of the n-back working memory task. Results No clusters of grey or white matter volume difference were found between the two patient groups. During n-back performance, the cognitively impaired patients showed hypoactivation compared to the cognitively preserved patients in a circumscribed region in the right dorsolateral prefrontal cortex. Both patient groups showed failure of de-activation in the medial frontal cortex compared to the healthy controls. Conclusions Cognitive impairment in euthymic bipolar patients appears from this study to be unrelated to structural brain abnormality, but there was some evidence for an association with altered prefrontal function. PMID:27448153

  4. Neutrophilic Bronchial Inflammation Correlates with Clinical and Functional Findings in Patients with Noncystic Fibrosis Bronchiectasis

    PubMed Central

    Dente, Federico L.; Bilotta, Marta; Bartoli, Maria Laura; Bacci, Elena; Cianchetti, Silvana; Latorre, Manuela; Malagrinò, Laura; Nieri, Dario; Roggi, Maria Adelaide; Vagaggini, Barbara; Paggiaro, Pierluigi

    2015-01-01

    Background. Neutrophilic bronchial inflammation is a main feature of bronchiectasis, but not much is known about its relationship with other disease features. Aim. To compare airway inflammatory markers with clinical and functional findings in subjects with stable noncystic fibrosis bronchiectasis (NCFB). Methods. 152 NFCB patients (62.6 years; females: 57.2%) underwent clinical and functional cross-sectional evaluation, including microbiologic and inflammatory cell profile in sputum, and exhaled breath condensate malondialdehyde (EBC-MDA). NFCB severity was assessed using BSI and FACED criteria. Results. Sputum neutrophil percentages inversely correlated with FEV1 (P < 0.0001; rho = −0.428), weakly with Leicester Cough Questionnaire score (P = 0.068; rho = −0.58), and directly with duration of the disease (P = 0.004; rho = 0.3) and BSI severity score (P = 0.005; rho = 0.37), but not with FACED. Sputum neutrophilia was higher in colonized subjects, P. aeruginosa colonized subjects showing greater sputum neutrophilia and lower FEV1. Patients with ≥3 exacerbations in the last year showed a significantly greater EBC-MDA than the remaining patients. Conclusions. Sputum neutrophilic inflammation and biomarkers of oxidative stress in EBC can be considered good biomarkers of disease severity in NCFB patients, as confirmed by pulmonary function, disease duration, bacterial colonization, BSI score, and exacerbation rate. PMID:26819500

  5. Pulsed photoacoustic Doppler flowmetry using a cross correlation method

    NASA Astrophysics Data System (ADS)

    Brunker, J.; Beard, P.

    2010-02-01

    The feasibility of making spatially resolved measurements of blood flow using pulsed photoacoustic Doppler techniques has been explored. Doppler time shifts were quantified via cross-correlation of pairs of photoacoustic waveforms generated within a blood-simulating phantom using pairs of laser light pulses. The photoacoustic waves were detected using a focussed or planar PZT ultrasound transducer. This approach was found to be effective for quantifying the linear motion of micron-scale absorbers imprinted on an acetate sheet moving with velocities in the range 0.15 to 1.50 ms-1. The effect of the acoustic spot diameter and the time separation between the laser pulses on measurement resolution and the maximum measurable velocity is discussed. The distinguishing advantage of pulsed rather than continuous-wave excitation is that spatially resolved velocity measurements can be made. This offers the prospect of mapping flow within the microcirculation and thus providing insights into the perfusion of tumours and other pathologies characterised by abnormalities in flow status.

  6. [The correlation between subjective and objective voice evaluation in organic and functional larynx disorders].

    PubMed

    Wiskirska-Woźnica, Bozena; Pruszewicz, Antoni; Obrebowski, Andrzej; Swidziński, Piotr

    2003-01-01

    The aim of this research is to develop and introduce into phoniatric diagnostic procedures the complex methodology of vocal function assessment, on the basis of comparison of subjective and objective voice estimation. The set of complex voice evaluation ought to include perceptual examination of the voice quality with quantitative GRBAS scale as a subjective method, vocal folds vibrations in videostroboscopy as a quasi-objective method and acoustic voice estimation in Multi Dimensional Voice Program (MDVP) as an objective method. The basic assumption of this report is to prove correlation existence for vocal folds vibration quality in videostroboscopy, parameters describing acoustic wave generating by vibration system in larynx (MDVP) and perceptual subjective voice assessment (GRBAS scale) in organic and functional voice disorders. Research was conducted on 100 subjects (65 with organic and 35 with functional voice disorder), aged 7-74 years randomly chosen from population of patients treated at the Department of Phoniatrics and Audiology, Karol Marcinkowski University School of Medical Sciences in Poznań in 1996-2001 and 60 subjects as a control group without any voice disorders according to phoniatric examination. The research methodology include perceptual voice evaluation based on Japanese (Hirano) GRBAS scale adapted to Polish language, in scale 0 to 3 as well as the vibrations of vocal folds in videostroboscopy with attempt at quantification (scale 1 to 3) of selected measure and for acoustic analysis of Multi Dimensional Voice Program (MDVP) for 17 estimated parameters. Due to results and statistic analysis the own, new scale of dysphonia severity was introduced.

  7. Correlates of the Rosenberg Self-Esteem Scale Method Effects

    ERIC Educational Resources Information Center

    Quilty, Lena C.; Oakman, Jonathan M.; Risko, Evan

    2006-01-01

    Investigators of personality assessment are becoming aware that using positively and negatively worded items in questionnaires to prevent acquiescence may negatively impact construct validity. The Rosenberg Self-Esteem Scale (RSES) has demonstrated a bifactorial structure typically proposed to result from these method effects. Recent work suggests…

  8. Correlation of firing pin impressions based on congruent matching cross-sections (CMX) method.

    PubMed

    Zhang, Hao; Song, John; Tong, Mingsi; Chu, Wei

    2016-06-01

    Comparison of firing pin impressions of cartridge cases is an important part of firearms evidence identification. However, compared with breach face impressions, there is only a limited surface area over which firing pin impressions can be compared. Furthermore, the curvature of firing pin impressions makes it difficult to perform automatic correlations of the surfaces. In this study, a new method and related algorithm named congruent matching cross-sections (CMX) are proposed. Each firing pin impression is sliced into layers and the resulting circular cross-sections are converted to two dimensional linear profiles by a polar coordinate transformation. The differential profile extraction method is used for extracting the high frequency micro-features, or the individual characteristics, for accurate correlation. Three parameters are proposed for determining whether these pairwise firing pin impressions are fired from the same firearm. The cross-correlation function (CCF) is used for quantifying similarity of the pairwise profiles which represent the two correlated firing pin images. If the correlated cartridge pair is fired from the same firearm, the maximum CCF value between each of the profile pairs from the reference and the correlated firing pin impressions will be high. The other two parameters relate to the horizontal (or angular) and vertical range of relative shifts that the profiles undergo to obtain the maximum CCF. These shifts are the phase angle θ which corresponds to a horizontal shift of the 2D profiles and the vertical shift distance of slice section, i.e. where the profiles match in the depth of the impression. These shift parameters are used to determine the congruency of the pairwise profile patterns. When these parameter values and their statistical distributions are collected for analysis, the CMX number is derived as a key parameter for a conclusive identification or exclusion. Validation tests using 40 cartridge cases of three different

  9. Correlation of firing pin impressions based on congruent matching cross-sections (CMX) method.

    PubMed

    Zhang, Hao; Song, John; Tong, Mingsi; Chu, Wei

    2016-06-01

    Comparison of firing pin impressions of cartridge cases is an important part of firearms evidence identification. However, compared with breach face impressions, there is only a limited surface area over which firing pin impressions can be compared. Furthermore, the curvature of firing pin impressions makes it difficult to perform automatic correlations of the surfaces. In this study, a new method and related algorithm named congruent matching cross-sections (CMX) are proposed. Each firing pin impression is sliced into layers and the resulting circular cross-sections are converted to two dimensional linear profiles by a polar coordinate transformation. The differential profile extraction method is used for extracting the high frequency micro-features, or the individual characteristics, for accurate correlation. Three parameters are proposed for determining whether these pairwise firing pin impressions are fired from the same firearm. The cross-correlation function (CCF) is used for quantifying similarity of the pairwise profiles which represent the two correlated firing pin images. If the correlated cartridge pair is fired from the same firearm, the maximum CCF value between each of the profile pairs from the reference and the correlated firing pin impressions will be high. The other two parameters relate to the horizontal (or angular) and vertical range of relative shifts that the profiles undergo to obtain the maximum CCF. These shifts are the phase angle θ which corresponds to a horizontal shift of the 2D profiles and the vertical shift distance of slice section, i.e. where the profiles match in the depth of the impression. These shift parameters are used to determine the congruency of the pairwise profile patterns. When these parameter values and their statistical distributions are collected for analysis, the CMX number is derived as a key parameter for a conclusive identification or exclusion. Validation tests using 40 cartridge cases of three different

  10. Automatic determination of important mode-mode correlations in many-mode vibrational wave functions

    NASA Astrophysics Data System (ADS)

    König, Carolin; Christiansen, Ove

    2015-04-01

    We introduce new automatic procedures for parameterizing vibrational coupled cluster (VCC) and vibrational configuration interaction wave functions. Importance measures for individual mode combinations in the wave function are derived based on upper bounds to Hamiltonian matrix elements and/or the size of perturbative corrections derived in the framework of VCC. With a threshold, this enables an automatic, system-adapted way of choosing which mode-mode correlations are explicitly parameterized in the many-mode wave function. The effect of different importance measures and thresholds is investigated for zero-point energies and infrared spectra for formaldehyde and furan. Furthermore, the direct link between important mode-mode correlations and coordinates is illustrated employing water clusters as examples: Using optimized coordinates, a larger number of mode combinations can be neglected in the correlated many-mode vibrational wave function than with normal coordinates for the same accuracy. Moreover, the fraction of important mode-mode correlations compared to the total number of correlations decreases with system size. This underlines the potential gain in efficiency when using optimized coordinates in combination with a flexible scheme for choosing the mode-mode correlations included in the parameterization of the correlated many-mode vibrational wave function. All in all, it is found that the introduced schemes for parameterizing correlated many-mode vibrational wave functions lead to at least as systematic and accurate calculations as those using more standard and straightforward excitation level definitions. This new way of defining approximate calculations offers potential for future calculations on larger systems.

  11. Site-resolved measurement of the spin-correlation function in the Fermi-Hubbard model.

    PubMed

    Parsons, Maxwell F; Mazurenko, Anton; Chiu, Christie S; Ji, Geoffrey; Greif, Daniel; Greiner, Markus

    2016-09-16

    Exotic phases of matter can emerge from strong correlations in quantum many-body systems. Quantum gas microscopy affords the opportunity to study these correlations with unprecedented detail. Here, we report site-resolved observations of antiferromagnetic correlations in a two-dimensional, Hubbard-regime optical lattice and demonstrate the ability to measure the spin-correlation function over any distance. We measure the in situ distributions of the particle density and magnetic correlations, extract thermodynamic quantities from comparisons to theory, and observe statistically significant correlations over three lattice sites. The temperatures that we reach approach the limits of available numerical simulations. The direct access to many-body physics at the single-particle level demonstrated by our results will further our understanding of how the interplay of motion and magnetism gives rise to new states of matter. PMID:27634527

  12. Baryons in the field correlator method: Effects of the running strong coupling

    SciTech Connect

    Kezerashvili, R. Ya.; Narodetskii, I. M.; Veselov, A. I.

    2009-02-01

    The ground and P-wave excited states of nnn, nns, and ssn baryons are studied in the framework of the field correlator method using the running strong coupling constant in the Coulomb-like part of the three-quark potential. The running coupling is calculated up to two loops in the background perturbation theory. The three-quark problem has been solved using the hyperspherical functions method. The masses of the S- and P-wave baryons are presented. Our approach reproduces and improves the previous results for the baryon masses obtained for the freezing value of the coupling constant. The string correction for the confinement potential of the orbitally excited baryons, which is the leading contribution of the proper inertia of the rotating strings, is estimated.

  13. The Geriatric Hand: Correlation of Hand-Muscle Function and Activity Restriction in Elderly

    ERIC Educational Resources Information Center

    Incel, Nurgul Arinci; Sezgin, Melek; As, Ismet; Cimen, Ozlem Bolgen; Sahin, Gunsah

    2009-01-01

    On the basis of the importance of hand manipulation in activities of daily living (ADL), deterioration of hand function because of various factors reduces quality and independence of life of the geriatric population. The aim of this study was to identify age-induced changes in manual function and to quantify the correlations between hand-muscle…

  14. Towards prediction of correlated material properties using quantum Monte Carlo methods

    NASA Astrophysics Data System (ADS)

    Wagner, Lucas

    Correlated electron systems offer a richness of physics far beyond noninteracting systems. If we would like to pursue the dream of designer correlated materials, or, even to set a more modest goal, to explain in detail the properties and effective physics of known materials, then accurate simulation methods are required. Using modern computational resources, quantum Monte Carlo (QMC) techniques offer a way to directly simulate electron correlations. I will show some recent results on a few extremely challenging materials including the metal-insulator transition of VO2, the ground state of the doped cuprates, and the pressure dependence of magnetic properties in FeSe. By using a relatively simple implementation of QMC, at least some properties of these materials can be described truly from first principles, without any adjustable parameters. Using the QMC platform, we have developed a way of systematically deriving effective lattice models from the simulation. This procedure is particularly attractive for correlated electron systems because the QMC methods treat the one-body and many-body components of the wave function and Hamiltonian on completely equal footing. I will show some examples of using this downfolding technique and the high accuracy of QMC to connect our intuitive ideas about interacting electron systems with high fidelity simulations. The work in this presentation was supported in part by NSF DMR 1206242, the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Scientific Discovery through Advanced Computing (SciDAC) program under Award Number FG02-12ER46875, and the Center for Emergent Superconductivity, Department of Energy Frontier Research Center under Grant No. DEAC0298CH1088. Computing resources were provided by a Blue Waters Illinois grant and INCITE PhotSuper and SuperMatSim allocations.

  15. Identity method for particle number fluctuations and correlations

    SciTech Connect

    Gorenstein, M. I.

    2011-08-15

    An incomplete particle identification distorts the observed event-by-event fluctuations of the hadron chemical composition in nucleus-nucleus collisions. A new experimental technique called the identity method was recently proposed. It eliminated the misidentification problem for one specific combination of the second moments in a system of two hadron species. In the present paper, this method is extended to calculate all the second moments in a system with an arbitrary number of hadron species. Special linear combinations of the second moments are introduced. These combinations are presented in terms of single-particle variables and can be found experimentally from the event-by-event averaging. The mathematical problem is then reduced to solving a system of linear equations. The effect of incomplete particle identification is fully eliminated from the final results.

  16. Assessing Accuracy of Exchange-Correlation Functionals for the Description of Atomic Excited States

    NASA Astrophysics Data System (ADS)

    Makowski, Marcin; Hanas, Martyna

    2016-09-01

    The performance of exchange-correlation functionals for the description of atomic excitations is investigated. A benchmark set of excited states is constructed and experimental data is compared to Time-Dependent Density Functional Theory (TDDFT) calculations. The benchmark results show that for the selected group of functionals good accuracy may be achieved and the quality of predictions provided is competitive to computationally more demanding coupled-cluster approaches. Apart from testing the standard TDDFT approaches, also the role of self-interaction error plaguing DFT calculations and the adiabatic approximation to the exchange-correlation kernels is given some insight.

  17. Correlation function induced by a generalized diffusion equation with the presence of a harmonic potential

    SciTech Connect

    Fa, Kwok Sau

    2015-02-15

    An integro-differential diffusion equation with linear force, based on the continuous time random walk model, is considered. The equation generalizes the ordinary and fractional diffusion equations, which includes short, intermediate and long-time memory effects described by the waiting time probability density function. Analytical expression for the correlation function is obtained and analyzed, which can be used to describe, for instance, internal motions of proteins. The result shows that the generalized diffusion equation has a broad application and it may be used to describe different kinds of systems. - Highlights: • Calculation of the correlation function. • The correlation function is connected to the survival probability. • The model can be applied to the internal dynamics of proteins.

  18. COPD phenotypes on computed tomography and its correlation with selected lung function variables in severe patients

    PubMed Central

    da Silva, Silvia Maria Doria; Paschoal, Ilma Aparecida; De Capitani, Eduardo Mello; Moreira, Marcos Mello; Palhares, Luciana Campanatti; Pereira, Mônica Corso

    2016-01-01

    Background Computed tomography (CT) phenotypic characterization helps in understanding the clinical diversity of chronic obstructive pulmonary disease (COPD) patients, but its clinical relevance and its relationship with functional features are not clarified. Volumetric capnography (VC) uses the principle of gas washout and analyzes the pattern of CO2 elimination as a function of expired volume. The main variables analyzed were end-tidal concentration of carbon dioxide (ETCO2), Slope of phase 2 (Slp2), and Slope of phase 3 (Slp3) of capnogram, the curve which represents the total amount of CO2 eliminated by the lungs during each breath. Objective To investigate, in a group of patients with severe COPD, if the phenotypic analysis by CT could identify different subsets of patients, and if there was an association of CT findings and functional variables. Subjects and methods Sixty-five patients with COPD Gold III–IV were admitted for clinical evaluation, high-resolution CT, and functional evaluation (spirometry, 6-minute walk test [6MWT], and VC). The presence and profusion of tomography findings were evaluated, and later, the patients were identified as having emphysema (EMP) or airway disease (AWD) phenotype. EMP and AWD groups were compared; tomography findings scores were evaluated versus spirometric, 6MWT, and VC variables. Results Bronchiectasis was found in 33.8% and peribronchial thickening in 69.2% of the 65 patients. Structural findings of airways had no significant correlation with spirometric variables. Air trapping and EMP were strongly correlated with VC variables, but in opposite directions. There was some overlap between the EMP and AWD groups, but EMP patients had signicantly lower body mass index, worse obstruction, and shorter walked distance on 6MWT. Concerning VC, EMP patients had signicantly lower ETCO2, Slp2 and Slp3. Increases in Slp3 characterize heterogeneous involvement of the distal air spaces, as in AWD. Conclusion Visual assessment and

  19. Improvement of tactile roughness discrimination acuity correlates with perception of improved hand function in patients after hand surgery

    PubMed Central

    Fujimoto, Shuhei; Kon, Noriko

    2016-01-01

    [Purpose] The purpose of this study was to elucidate how well patients’ perceptions related to the improvements in their hand function during hospitalization. [Subjects] Sixteen patients who were hospitalized after hand surgery. [Methods] Using the Japanese Society for Surgery of the Hand edition of the Quick-Disabilities of the Arm, Shoulder, and Hand questionnaire; tactile roughness discrimination acuity, motor imagery, motor function, sensory function, and pain of the upper limb were assessed at admission and discharge. Spearman’s rank-order correlation coefficients were calculated using the differences in all assessment items at admission and discharge. A multiple regression analysis (stepwise method) was performed to investigate factors that correlated with improvements in Quick-Disabilities of the Arm, Shoulder, and Hand scores. [Results] The improvement of tactile roughness discrimination acuity was significantly associated with patient perception of improved hand function. [Conclusion] The results suggest that an improvement in tactile roughness discrimination acuity was most strongly correlated with patient perception of improved hand function. PMID:27190473

  20. Improvement of tactile roughness discrimination acuity correlates with perception of improved hand function in patients after hand surgery.

    PubMed

    Fujimoto, Shuhei; Kon, Noriko

    2016-04-01

    [Purpose] The purpose of this study was to elucidate how well patients' perceptions related to the improvements in their hand function during hospitalization. [Subjects] Sixteen patients who were hospitalized after hand surgery. [Methods] Using the Japanese Society for Surgery of the Hand edition of the Quick-Disabilities of the Arm, Shoulder, and Hand questionnaire; tactile roughness discrimination acuity, motor imagery, motor function, sensory function, and pain of the upper limb were assessed at admission and discharge. Spearman's rank-order correlation coefficients were calculated using the differences in all assessment items at admission and discharge. A multiple regression analysis (stepwise method) was performed to investigate factors that correlated with improvements in Quick-Disabilities of the Arm, Shoulder, and Hand scores. [Results] The improvement of tactile roughness discrimination acuity was significantly associated with patient perception of improved hand function. [Conclusion] The results suggest that an improvement in tactile roughness discrimination acuity was most strongly correlated with patient perception of improved hand function. PMID:27190473

  1. Dipion decays of heavy quarkonium in the field correlator method

    NASA Astrophysics Data System (ADS)

    Simonov, Yu. A.

    2008-06-01

    The mechanism of dipion transitions nS → n'Sππ ( n = 3, 2; n' = 2, 1) in bottomonium and charmonium is studied with the use of the chiral string-breaking Lagrangian allowing for the emission of any number of π( K, ν), and not containing fitting parameters. The transition amplitude contains two terms: M = a - b, where the first term ( a) refers to subsequent one-pion emission, Upsilon (nS) to π Bbar B^ * to π Upsilon (n'S)π , and the second term ( b) refers to two-pion emission, Upsilon (nS) to π π Bbar B to π π Upsilon (n'S) . The one parameter formula for the dipion mass distribution is derived, dw/dq˜ (phase space) × | η - x|2, where x = ( q 2 - 4 m {π/2})/( q {max/2} - 4 m {π/2}), q 2 m= M {ππ/2}. The parameter ν dependent on the process is calculated, using SHO wave functions and imposing PCAC restrictions (Adler zero) on amplitudes a and b. The resulting dipion mass distributions are in agreement with experimental data.

  2. Active Flexion in Weight Bearing Better Correlates with Functional Outcomes of Total Knee Arthroplasty than Passive Flexion

    PubMed Central

    Song, Young Dong; Jain, Nimash; Kang, Yeon Gwi; Kim, Tae Yune

    2016-01-01

    Purpose Correlations between maximum flexion and functional outcomes in total knee arthroplasty (TKA) patients are reportedly weak. We investigated whether there are differences between passive maximum flexion in nonweight bearing and other types of maximum flexion and whether the type of maximum flexion correlates with functional outcomes. Materials and Methods A total of 210 patients (359 knees) underwent preoperative evaluation and postoperative follow-up evaluations (6, 12, and 24 months) for the assessment of clinical outcomes including maximum knee flexion. Maximum flexion was measured under five conditions: passive nonweight bearing, passive weight bearing, active nonweight bearing, and active weight bearing with or without arm support. Data were analyzed for relationships between passive maximum flexion in nonweight bearing by Pearson correlation analyses, and a variance comparison between measurement techniques via paired t test. Results We observed substantial differences between passive maximum flexion in nonweight bearing and the other four maximum flexion types. At all time points, passive maximum flexion in nonweight bearing correlated poorly with active maximum flexion in weight bearing with or without arm support. Active maximum flexion in weight bearing better correlated with functional outcomes than the other maximum flexion types. Conclusions Our study suggests active maximum flexion in weight bearing should be reported together with passive maximum flexion in nonweight bearing in research on the knee motion arc after TKA. PMID:27274468

  3. Visualizing confusion matrices for multidimensional signal detection correlational methods

    NASA Astrophysics Data System (ADS)

    Zhou, Yue; Wischgoll, Thomas; Blaha, Leslie M.; Smith, Ross; Vickery, Rhonda J.

    2013-12-01

    Advances in modeling and simulation for General Recognition Theory have produced more data than can be easily visualized using traditional techniques. In this area of psychological modeling, domain experts are struggling to find effective ways to compare large-scale simulation results. This paper describes methods that adapt the web-based D3 visualization framework combined with pre-processing tools to enable domain specialists to more easily interpret their data. The D3 framework utilizes Javascript and scalable vector graphics (SVG) to generate visualizations that can run readily within the web browser for domain specialists. Parallel coordinate plots and heat maps were developed for identification-confusion matrix data, and the results were shown to a GRT expert for an informal evaluation of their utility. There is a clear benefit to model interpretation from these visualizations when researchers need to interpret larger amounts of simulated data.

  4. High Statistics Analysis using Anisotropic Clover Lattices: (I) Single Hadron Correlation Functions

    SciTech Connect

    Will Detmold,Konstantinos Orginos,Silas R. Beane,Will Detmold,William Detmold,Thomas C. Luu,Konstantinos Orginos,Assumpta Parreno,Martin J. Savage,Aaron Torok,Andre Walker-Loud

    2009-06-01

    We present the results of high-statistics calculations of correlation functions generated with single-baryon interpolating operators on an ensemble of dynamical anisotropic gauge-field configurations generated by the Hadron Spectrum Collaboration using a tadpole-improved clover fermion action and Symanzik-improved gauge action. A total of 292,500 sets of measurements are made using 1194 gauge configurations of size 20^3 x 128 with an anisotropy parameter \\xi= b_s/b_t = 3.5, a spatial lattice spacing of b_s=0.1227\\pm 0.0008 fm, and pion mass of m_\\pi ~ 390 MeV. Ground state baryon masses are extracted with fully quantified uncertainties that are at or below the ~0.2%-level in lattice units. The lowest-lying negative-parity states are also extracted albeit with a somewhat lower level of precision. In the case of the nucleon, this negative-parity state is above the N\\pi threshold and, therefore, the isospin-1/2 \\pi N s-wave scattering phase-shift can be extracted using Luescher's method. The disconnected contributions to this process are included indirectly in the gauge-field configurations and do not require additional calculations. The signal-to-noise ratio in the various correlation functions is explored and is found to degrade exponentially faster than naive expectations on many time-slices. This is due to backward propagating states arising from the anti-periodic boundary conditions imposed on the quark-propagators in the time-direction. We explore how best to distribute computational resources between configuration generation and propagator measurements in order to optimize the extraction of single baryon observables.

  5. High Statistics Analysis using Anisotropic Clover Lattices: (I) Single Hadron Correlation Functions

    SciTech Connect

    Beane, S; Detmold, W; Luu, T; Orginos, K; Parreno, A; Savage, M; Torok, A; Walker-Loud, A

    2009-03-23

    We present the results of high-statistics calculations of correlation functions generated with single-baryon interpolating operators on an ensemble of dynamical anisotropic gauge-field configurations generated by the Hadron Spectrum Collaboration using a tadpole-improved clover fermion action and Symanzik-improved gauge action. A total of 292, 500 sets of measurements are made using 1194 gauge configurations of size 20{sup 3} x 128 with an anisotropy parameter {zeta} = b{sub s}/b{sub t} = 3.5, a spatial lattice spacing of b{sub s} = 0.1227 {+-} 0.0008 fm, and pion mass of M{sub {pi}} {approx} 390 MeV. Ground state baryons masses are extracted with fully quantified uncertainties that are at or below the {approx} 0.2%-level in lattice units. The lowest-lying negative-parity states are also extracted albeit with a somewhat lower level of precision. In the case of the nucleon, this negative-parity state is above the N{pi} threshold and, therefore, the isospin-1/2 {pi}N s-wave scattering phase-shift can be extracted using Luescher's method. The disconnected contributions to this process are included indirectly in the gauge-field configurations and do not require additional calculations. The signal-to-noise ratio in the various correlation functions is explored and is found to degrade exponentially faster than naive expectations on many time-slices. This is due to backward propagating states arising from the anti-periodic boundary conditions imposed on the quark-propagators in the time-direction. We explore how best to distribute computational resources between configuration generation and propagator measurements in order to optimize the extraction of single baryon observables.

  6. High statistics analysis using anisotropic clover lattices: Single hadron correlation functions

    SciTech Connect

    Beane, Silas R.; Torok, Aaron; Detmold, William; Orginos, Kostas; Luu, Thomas C.; Parreno, Assumpta; Savage, Martin J.; Walker-Loud, Andre

    2009-06-01

    We present the results of high-statistics calculations of correlation functions generated with single-baryon interpolating operators on an ensemble of dynamical anisotropic gauge-field configurations generated by the Hadron Spectrum Collaboration using a tadpole-improved clover fermion action and Symanzik-improved gauge action. A total of 292, 500 sets of measurements are made using 1194 gauge configurations of size 20{sup 3}x128 with an anisotropy parameter {xi}=b{sub s}/b{sub t}=3.5, a spatial lattice spacing of b{sub s}=0.1227{+-}0.0008 fm, and pion mass of M{sub {pi}}{approx}390 MeV. Ground state baryon masses are extracted with fully quantified uncertainties that are at or below the {approx}0.2%-level in lattice units. The lowest-lying negative-parity states are also extracted albeit with a somewhat lower level of precision. In the case of the nucleon, this negative-parity state is above the N{pi} threshold and, therefore, the isospin-(1/2) {pi}N s-wave scattering phase-shift can be extracted using Luescher's method. The disconnected contributions to this process are included indirectly in the gauge-field configurations and do not require additional calculations. The signal-to-noise ratio in the various correlation functions is explored and is found to degrade exponentially faster than naive expectations on many time slices. This is due to backward propagating states arising from the antiperiodic boundary conditions imposed on the quark propagators in the time direction. We explore how best to distribute computational resources between configuration generation and propagator measurements in order to optimize the extraction of single baryon observables.

  7. Correlation functions of main-chain polymer nematics constrained by tensorial and vectorial conservation laws.

    PubMed

    Svenšek, Daniel; Podgornik, Rudolf

    2015-09-21

    We present and analyze correlation functions of a main-chain polymer nematic in a continuum worm-like chain description for two types of constraints formalized by the tensorial and vectorial conservation laws, both originating in the microscopic chain integrity, i.e., the connectivity of the polymer chains. In particular, our aim is to identify the features of the correlation functions that are most susceptible to the differences between the two constraints. Besides the density and director autocorrelations in both the tensorial and vectorial cases, we calculate also the density-director correlation functions, the latter being a direct signature of the presence of a specific constraint. Its amplitude is connected to the strength of the constraint and is zero if none of the constraints are present, i.e., for a standard non-polymeric nematic. Generally, the correlation functions with the constraints differ substantially from the correlation functions in the non-polymeric case, if the constraints are strong which in practice requires long chains. Moreover, for the tensorial conservation law to be well distinguishable from the vectorial one, the chain persistence length should be much smaller than the total length of the chain, so that hairpins (chain backfolding) are numerous and the polar order is small. PMID:26395733

  8. Correlation functions of main-chain polymer nematics constrained by tensorial and vectorial conservation laws.

    PubMed

    Svenšek, Daniel; Podgornik, Rudolf

    2015-09-21

    We present and analyze correlation functions of a main-chain polymer nematic in a continuum worm-like chain description for two types of constraints formalized by the tensorial and vectorial conservation laws, both originating in the microscopic chain integrity, i.e., the connectivity of the polymer chains. In particular, our aim is to identify the features of the correlation functions that are most susceptible to the differences between the two constraints. Besides the density and director autocorrelations in both the tensorial and vectorial cases, we calculate also the density-director correlation functions, the latter being a direct signature of the presence of a specific constraint. Its amplitude is connected to the strength of the constraint and is zero if none of the constraints are present, i.e., for a standard non-polymeric nematic. Generally, the correlation functions with the constraints differ substantially from the correlation functions in the non-polymeric case, if the constraints are strong which in practice requires long chains. Moreover, for the tensorial conservation law to be well distinguishable from the vectorial one, the chain persistence length should be much smaller than the total length of the chain, so that hairpins (chain backfolding) are numerous and the polar order is small.

  9. Green's function methods in heavy ion shielding

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Costen, Robert C.; Shinn, Judy L.; Badavi, Francis F.

    1993-01-01

    An analytic solution to the heavy ion transport in terms of Green's function is used to generate a highly efficient computer code for space applications. The efficiency of the computer code is accomplished by a nonperturbative technique extending Green's function over the solution domain. The computer code can also be applied to accelerator boundary conditions to allow code validation in laboratory experiments.

  10. Feasibility and correlation of standard 2D speckle tracking echocardiography and automated function imaging derived parameters of left ventricular function during dobutamine stress test.

    PubMed

    Wierzbowska-Drabik, Karina; Hamala, Piotr; Roszczyk, Nikolina; Lipiec, Piotr; Plewka, Michał; Kręcki, Radosław; Kasprzak, Jarosław Damian

    2014-04-01

    Speckle tracking echocardiography (STE) is a method of quantitative assessment of myocardial function complementary to ejection fraction and visual evaluation. Standard STE analysis, demands manual tracing of the myocardium whereas automated function imaging (AFI) offers more convenient (based on selection of three points) assessment of longitudinal strain. Nevertheless, feasibility and correlation between both methods were not thoroughly examined, especially during tachycardia at peak stage of dobutamine stress echocardiography (DSE). We performed DSE in 238 patients (pts) with recording of apical views during baseline (0) and peak (1) DSE and analyzed them by STE and AFI. According to angiography, 127/238 pts had significant (≥70%) lesions in coronary arteries. We assessed correlations between STE and AFI derived peak systolic longitudinal strain values for global and regional parameters, feasibility, time of analysis and interobserver agreement. Global systolic longitudinal strain measured during baseline and peak stage of DSE by AFI showed very good correlation with standard STE parameters, with correlation coefficients r = 0.90 and r = 0.86 respectively (p < 0.0001). For regional parameters correlation coefficients ranged from 0.83 to 0.85 for baseline and from 0.70 to 0.79 for peak DSE. Both methods provided good and similar feasibility with only 1% segments excluded from analysis at peak stage of DSE with shorter time and lower coefficient of variance offered by AFI. Global and regional longitudinal strain achieved by faster and less operator-dependent AFI method correlate well with standard more time-consuming STE analysis during baseline and peak stage of DSE.

  11. Nonseparable exchange-correlation functional for molecules, including homogeneous catalysis involving transition metals.

    PubMed

    Yu, Haoyu S; Zhang, Wenjing; Verma, Pragya; He, Xiao; Truhlar, Donald G

    2015-05-14

    The goal of this work is to develop a gradient approximation to the exchange-correlation functional of Kohn-Sham density functional theory for treating molecular problems with a special emphasis on the prediction of quantities important for homogeneous catalysis and other molecular energetics. Our training and validation of exchange-correlation functionals is organized in terms of databases and subdatabases. The key properties required for homogeneous catalysis are main group bond energies (database MGBE137), transition metal bond energies (database TMBE32), reaction barrier heights (database BH76), and molecular structures (database MS10). We also consider 26 other databases, most of which are subdatabases of a newly extended broad database called Database 2015, which is presented in the present article and in its ESI. Based on the mathematical form of a nonseparable gradient approximation (NGA), as first employed in the N12 functional, we design a new functional by using Database 2015 and by adding smoothness constraints to the optimization of the functional. The resulting functional is called the gradient approximation for molecules, or GAM. The GAM functional gives better results for MGBE137, TMBE32, and BH76 than any available generalized gradient approximation (GGA) or than N12. The GAM functional also gives reasonable results for MS10 with an MUE of 0.018 Å. The GAM functional provides good results both within the training sets and outside the training sets. The convergence tests and the smooth curves of exchange-correlation enhancement factor as a function of the reduced density gradient show that the GAM functional is a smooth functional that should not lead to extra expense or instability in optimizations. NGAs, like GGAs, have the advantage over meta-GGAs and hybrid GGAs of respectively smaller grid-size requirements for integrations and lower costs for extended systems. These computational advantages combined with the relatively high accuracy for all

  12. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

    SciTech Connect

    McKechnie, Scott; Booth, George H.; Cohen, Aron J.; Cole, Jacqueline M.

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  13. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies.

    PubMed

    McKechnie, Scott; Booth, George H; Cohen, Aron J; Cole, Jacqueline M

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  14. Correlation functions in resonance fluorescence with spectral resolution: Signal-processing approach

    NASA Astrophysics Data System (ADS)

    Shatokhin, Vyacheslav N.; Kilin, Sergei Ya.

    2016-09-01

    In the framework of the signal processing approach to single-atom resonance fluorescence with spectral resolution, we diagrammatically derive an analytical formula for arbitrary-order spectral correlation functions of the scattered fields that pass through Fabry-Perot interferometers. Our general expression is then applied to study correlation signals in the limit of well separated spectral lines of the resonance fluorescence spectrum. In particular, we study the normalized second-order temporal intensity correlation functions in the case of the interferometers tuned to the components of the spectrum and obtain interferential corrections to the approximate results derived in the secular limit. In addition, we explore purely spectral correlations and show that they can fully be understood in terms of the two-photon cascades down the dressed state ladder.

  15. An improved correlation method for determining the period of a torsion pendulum

    SciTech Connect

    Luo Jie; Wang Dianhong

    2008-09-15

    Considering variation of environment temperature and unhomogeneity of background gravitational field, an improved correlation method was proposed to determine the variational period of a torsion pendulum with high precision. The result of processing experimental data shows that the uncertainty of determining the period with this method has been improved about twofolds than traditional correlation method, which is significant for the determination of gravitational constant with time-of-swing method.

  16. An improved correlation method for determining the period of a torsion pendulum.

    PubMed

    Luo, Jie; Wang, Dian-Hong

    2008-09-01

    Considering variation of environment temperature and unhomogeneity of background gravitational field, an improved correlation method was proposed to determine the variational period of a torsion pendulum with high precision. The result of processing experimental data shows that the uncertainty of determining the period with this method has been improved about twofolds than traditional correlation method, which is significant for the determination of gravitational constant with time-of-swing method.

  17. Extraction of spectral functions from Dyson-Schwinger studies via the maximum entropy method

    SciTech Connect

    Nickel, Dominik . E-mail: dominik.nickel@physik.tu-darmstadt.de

    2007-08-15

    It is shown how to apply the Maximum Entropy Method (MEM) to numerical Dyson-Schwinger studies for the extraction of spectral functions of correlators from their corresponding Euclidean propagators. Differences to the application in lattice QCD are emphasized and, as an example, the spectral functions of massless quarks in cold and dense matter are presented.

  18. Assessment of subjective and objective cognitive function in bipolar disorder: Correlations, predictors and the relation to psychosocial function.

    PubMed

    Demant, Kirsa M; Vinberg, Maj; Kessing, Lars V; Miskowiak, Kamilla W

    2015-09-30

    Cognitive dysfunction is prevalent in bipolar disorder (BD). However, the evidence regarding the association between subjective cognitive complaints, objective cognitive performance and psychosocial function is sparse and inconsistent. Seventy seven patients with bipolar disorder who presented cognitive complaints underwent assessment of objective and subjective cognitive function and psychosocial functioning as part of their participation in two clinical trials. We investigated the association between global and domain-specific objective and subjective cognitive function and between global cognitive function and psychosocial function. We also identified clinical variables that predicted objective and subjective cognitive function and psychosocial functioning. There was a correlation between global subjective and objective measures of cognitive dysfunction but not within the individual cognitive domains. However, the correlation was weak, suggesting that cognitive complaints are not an assay of cognition per se. Self-rated psychosocial difficulties were associated with subjective (but not objective) cognitive impairment and both subjective cognitive and psychosocial difficulties were predicted by depressive symptoms. Our findings indicate that adequate assessment of cognition in the clinical treatment of BD and in drug trials targeting cognition requires implementation of not only subjective measures but also of objective neuropsychological tests.

  19. Green's function retrieval through cross-correlations in a two-dimensional complex reverberating medium.

    PubMed

    Colombi, Andrea; Boschi, Lapo; Roux, Philippe; Campillo, Michel

    2014-03-01

    Cross-correlations of ambient noise averaged at two receivers lead to the reconstruction of the two-point Green's function, provided that the wave-field is uniform azimuthally, and also temporally and spatially uncorrelated. This condition depends on the spatial distribution of the sources and the presence of heterogeneities that act as uncorrelated secondary sources. This study aims to evaluate the relative contributions of source distribution and medium complexity in the two-point cross-correlations by means of numerical simulations and laboratory experiments in a finite-size reverberant two-dimensional (2D) plate. The experiments show that the fit between the cross-correlation and the 2D Green's function depends strongly on the nature of the source used to excite the plate. A turbulent air-jet produces a spatially uncorrelated acoustic field that rapidly builds up the Green's function. On the other hand, extracting the Green's function from cross-correlations of point-like sources requires more realizations and long recordings to balance the effect of the most energetic first arrivals. When the Green's function involves other arrivals than the direct wave, numerical simulations confirm the better Green's function reconstruction with a spatially uniform source distribution than the typical contour-like source distribution surrounding the receivers that systematically gives rise to spurious phases. PMID:24606247

  20. Optimization of a hybrid exchange-correlation functional for silicon carbides

    SciTech Connect

    Oda, Takuji; Zhang, Yanwen; Weber, William J

    2013-01-01

    A hybrid exchange-correlation functional is optimized in order to accurately describe the nature of silicon carbides (SiC) in the framework of ab-initio calculations based on density functional theory (DFT), especially with an aim toward future applications in defect studies. It is shown that the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional with the screening parameter of 0.15 -1 outperforms conventional exchange-correlation functionals and other popular hybrid functionals regarding description of band structures in SiC. High transferability is proven through assessment over various SiC polytypes, silicon and diamond. Excellent performance is also confirmed for other fundamental material properties including elastic constants and phonon frequency.

  1. Measuring electrophysiological connectivity by power envelope correlation: a technical review on MEG methods.

    PubMed

    O'Neill, George C; Barratt, Eleanor L; Hunt, Benjamin A E; Tewarie, Prejaas K; Brookes, Matthew J

    2015-11-01

    The human brain can be divided into multiple areas, each responsible for different aspects of behaviour. Healthy brain function relies upon efficient connectivity between these areas and, in recent years, neuroimaging has been revolutionised by an ability to estimate this connectivity. In this paper we discuss measurement of network connectivity using magnetoencephalography (MEG), a technique capable of imaging electrophysiological brain activity with good (~5 mm) spatial resolution and excellent (~1 ms) temporal resolution. The rich information content of MEG facilitates many disparate measures of connectivity between spatially separate regions and in this paper we discuss a single metric known as power envelope correlation. We review in detail the methodology required to measure power envelope correlation including (i) projection of MEG data into source space, (ii) removing confounds introduced by the MEG inverse problem and (iii) estimation of connectivity itself. In this way, we aim to provide researchers with a description of the key steps required to assess envelope based functional networks, which are thought to represent an intrinsic mode of coupling in the human brain. We highlight the principal findings of the techniques discussed, and furthermore, we show evidence that this method can probe how the brain forms and dissolves multiple transient networks on a rapid timescale in order to support current processing demand. Overall, power envelope correlation offers a unique and verifiable means to gain novel insights into network coordination and is proving to be of significant value in elucidating the neural dynamics of the human connectome in health and disease. PMID:26447925

  2. Spin-foam fermions: PCT symmetry, Dirac determinant and correlation functions

    NASA Astrophysics Data System (ADS)

    Han, Muxin; Rovelli, Carlo

    2013-04-01

    We discuss fermion coupling in the framework of spin-foam quantum gravity. We analyze the gravity-fermion spin-foam model and its fermion correlation functions. We show that there is a spin-foam analogue of PCT symmetry for the fermion fields on a spin-foam model, which is proved for spin-foam fermion correlation functions. We compute the determinant of the Dirac operator for the fermions, where two presentations of the Dirac determinant are given in terms of diagram expansions. We compute the fermion correlation functions and show that they can be given by Feynman diagrams on the spin-foams, where the Feynman propagators can be represented by a discretized path integral of a world-line action along the edges of the underlying 2-complex.

  3. Non-Poisson processes: regression to equilibrium versus equilibrium correlation functions

    NASA Astrophysics Data System (ADS)

    Allegrini, Paolo; Grigolini, Paolo; Palatella, Luigi; Rosa, Angelo; West, Bruce J.

    2005-03-01

    We study the response to perturbation of non-Poisson dichotomous fluctuations that generate super-diffusion. We adopt the Liouville perspective and with it a quantum-like approach based on splitting the density distribution into a symmetric and an anti-symmetric component. To accomodate the equilibrium condition behind the stationary correlation function, we study the time evolution of the anti-symmetric component, while keeping the symmetric component at equilibrium. For any realistic form of the perturbed distribution density we expect a breakdown of the Onsager principle, namely, of the property that the subsequent regression of the perturbation to equilibrium is identical to the corresponding equilibrium correlation function. We find the directions to follow for the calculation of higher-order correlation functions, an unsettled problem, which has been addressed in the past by means of approximations yielding quite different physical effects.

  4. Measuring a hidden coordinate: Rate-exchange kinetics from 3D correlation functions

    NASA Astrophysics Data System (ADS)

    Berg, Mark A.; Darvin, Jason R.

    2016-08-01

    Nonexponential kinetics imply the existence of at least one slow variable other than the observable, that is, the system has a "hidden" coordinate. We develop a simple, but general, model that allows multidimensional correlation functions to be calculated for these systems. Homogeneous and heterogeneous mechanisms are both included, and slow exchange of the rates is allowed. This model shows that 2D and 3D correlation functions of the observable measure the distribution and kinetics of the hidden coordinate controlling the rate exchange. Both the mean exchange time and the shape of the exchange relaxation are measurable. However, complications arise because higher correlation functions are sums of multiple "pathways," each of which measures different dynamics. Only one 3D pathway involves exchange dynamics. Care must be used to extract exchange dynamics without contamination from other processes.

  5. Sarcoidosis: correlation of pulmonary parenchymal pattern at CT with results of pulmonary function tests

    SciTech Connect

    Bergin, C.J.; Bell, D.Y.; Coblentz, C.L.; Chiles, C.; Gamsu, G.; MacIntyre, N.R.; Coleman, R.E.; Putman, C.E.

    1989-06-01

    The appearances of the lungs on radiographs and computed tomographic (CT) scans were correlated with degree of uptake on gallium scans and results of pulmonary function tests (PFTs) in 27 patients with sarcoidosis. CT scans were evaluated both qualitatively and quantitatively. Patients were divided into five categories on the basis of the pattern of abnormality at CT: 1 = normal (n = 4); 2 = segmental air-space disease (n = 4); 3 = spherical (alveolar) masslike opacities (n = 4); 4 = multiple, discrete, small nodules (n = 6); and 5 = distortion of parenchymal structures (fibrotic end-stage sarcoidosis) (n = 9). The percentage of the volume judged to be abnormal (CT grade) was correlated with PFT results for each CT and radiographic category. CT grades were also correlated with gallium scanning results and percentage of lymphocytes recovered from bronchoalveolar lavage (BAL). Patients in CT categories 1 and 2 had normal lung function, those in category 3 had mild functional impairment, and those in categories 4 and 5 showed moderate to severe dysfunction. The overall CT grade correlated well with PFT results expressed as a percentage of the predicted value. In five patients, CT scans showed extensive parenchymal disease not seen on radiographs. CT grades did not correlate with the results of gallium scanning or BAL lymphocytes. The authors conclude that patterns of parenchymal sarcoidosis seen at CT correlate with the PFT results and can be used to indicate respiratory impairment.

  6. [Diagnostic methods of nasal respiratory function].

    PubMed

    Mlynski, G; Beule, A

    2008-01-01

    Objective assessment of nasal obstruction may help with preoperative planning for rhinosurgery and indicate different aspects of endonasal pathology. To improve quality control, preoperative and postoperative objective assessment is desirable. This review presents objective functional diagnostic tools and explains their appropriate uses, the information obtained, and their limitations. An algorithm is presented for analysing nasal obstruction by means of objective functional assessment. Examples illustrate how to use this information for preoperative planning in rhinosurgery. PMID:18210011

  7. Methods for Assessing Mitochondrial Function in Diabetes

    PubMed Central

    Kane, Daniel A.; Lanza, Ian R.; Neufer, P. Darrell

    2013-01-01

    A growing body of research is investigating the potential contribution of mitochondrial function to the etiology of type 2 diabetes. Numerous in vitro, in situ, and in vivo methodologies are available to examine various aspects of mitochondrial function, each requiring an understanding of their principles, advantages, and limitations. This review provides investigators with a critical overview of the strengths, limitations and critical experimental parameters to consider when selecting and conducting studies on mitochondrial function. In vitro (isolated mitochondria) and in situ (permeabilized cells/tissue) approaches provide direct access to the mitochondria, allowing for study of mitochondrial bioenergetics and redox function under defined substrate conditions. Several experimental parameters must be tightly controlled, including assay media, temperature, oxygen concentration, and in the case of permeabilized skeletal muscle, the contractile state of the fibers. Recently developed technology now offers the opportunity to measure oxygen consumption in intact cultured cells. Magnetic resonance spectroscopy provides the most direct way of assessing mitochondrial function in vivo with interpretations based on specific modeling approaches. The continuing rapid evolution of these technologies offers new and exciting opportunities for deciphering the potential role of mitochondrial function in the etiology and treatment of diabetes. PMID:23520284

  8. Probabilistic Density Function Method for Stochastic ODEs of Power Systems with Uncertain Power Input

    SciTech Connect

    Wang, Peng; Barajas-Solano, David A.; Constantinescu, Emil; Abhyankar, S.; Ghosh, Donetta L.; Smith, Barry; Huang, Zhenyu; Tartakovsky, Alexandre M.

    2015-09-22

    Wind and solar power generators are commonly described by a system of stochastic ordinary differential equations (SODEs) where random input parameters represent uncertainty in wind and solar energy. The existing methods for SODEs are mostly limited to delta-correlated random parameters (white noise). Here we use the Probability Density Function (PDF) method for deriving a closed-form deterministic partial differential equation (PDE) for the joint probability density function of the SODEs describing a power generator with time-correlated power input. The resulting PDE is solved numerically. A good agreement with Monte Carlo Simulations shows accuracy of the PDF method.

  9. Visualizing Functional Pathways in the Human Brain Using Correlation Tensors and Magnetic Resonance Imaging

    PubMed Central

    Ding, Zhaohua; Xu, Ran; Bailey, Stephen K.; Wu, Tung-Lin; Morgan, Victoria L.; Cutting, Laurie E.; Anderson, Adam W.; Gore, John C.

    2016-01-01

    Functional magnetic resonance imaging usually detects changes in blood oxygenation level dependent (BOLD) signals from T2*-sensitive acquisitions, and is most effective in detecting activity in brain cortex which is irrigated by rich vasculature to meet high metabolic demands. We recently demonstrated that MRI signals from T2*-sensitive acquisitions in a resting state exhibit structure-specific temporal correlations along white matter tracts. In this report we validate our preliminary findings and introduce spatio-temporal functional correlation tensors to characterize the directional preferences of temporal correlations in MRI signals acquired at rest. The results bear a remarkable similarity to data obtained by diffusion tensor imaging but without any diffusion-encoding gradients. Just as in gray matter, temporal correlations in resting state signals may reflect intrinsic synchronizations of neural activity in white matter. Here we demonstrate that functional correlation tensors are able to visualize long range white matter tracts as well as short range sub-cortical fibers imaged at rest, and that evoked functional activities alter these structures and enhance the visualization of relevant neural circuitry. Furthermore, we explore the biophysical mechanisms underlying these phenomena by comparing pulse sequences, which suggest that white matter signal variations are consistent with hemodynamic (BOLD) changes associated with neural activity. These results suggest new ways to evaluate MRI signal changes within white matter. PMID:26477562

  10. Study of charge-dependent azimuthal correlations using reaction-plane-dependent balance functions

    NASA Astrophysics Data System (ADS)

    Wang, Hui; STAR Collaboration

    2011-12-01

    STAR has recently reported charge-dependent azimuthal correlations that are sensitive to the charge separation effect in Au+Au collisions at \\sqrt{s_NN} = 200 GeV. Qualitatively, these results agree with some of the theoretical predictions for local parity violation in heavy-ion collisions. However, a study using reaction-plane-dependent balance functions shows an alternative origin of this signal. The balance function, which measures the correlation between oppositely charged pairs, is sensitive to the mechanisms of charge formation and the subsequent relative diffusion of the balancing charges. The reaction-plane-dependent balance function measurements can be related to STAR's charge-dependent azimuthal correlations. We report reaction-plane-dependent balance functions for Au+Au collisions at \\sqrt{s_NN} = 200, 62.4, 39, 11.5 and 7.7 GeV using the STAR detector. The model of Schlichting and Pratt incorporating local charge conservation and elliptic flow reproduces most of the three-particle azimuthal correlation results at 200 GeV. The experimental charge-dependent azimuthal charge correlations observed at 200 GeV can be explained in terms of local charge conservation and elliptic flow.

  11. Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction

    NASA Astrophysics Data System (ADS)

    Perdew, John P.; Staroverov, Viktor N.; Tao, Jianmin; Scuseria, Gustavo E.

    2008-11-01

    We construct a nonlocal density functional approximation with full exact exchange, while preserving the constraint-satisfaction approach and justified error cancellations of simpler semilocal functionals. This is achieved by interpolating between different approximations suitable for two extreme regions of the electron density. In a “normal” region, the exact exchange-correlation hole density around an electron is semilocal because its spatial range is reduced by correlation and because it integrates over a narrow range to -1 . These regions are well described by popular semilocal approximations (many of which have been constructed nonempirically), because of proper accuracy for a slowly varying density or because of error cancellation between exchange and correlation. “Abnormal” regions, where nonlocality is unveiled, include those in which exchange can dominate correlation (one-electron, nonuniform high density, and rapidly varying limits), and those open subsystems of fluctuating electron number over which the exact exchange-correlation hole integrates to a value greater than -1 . Regions between these extremes are described by a hybrid functional mixing exact and semilocal exchange energy densities locally, i.e., with a mixing fraction that is a function of position r and a functional of the density. Because our mixing fraction tends to 1 in the high-density limit, we employ full exact exchange according to the rigorous definition of the exchange component of any exchange-correlation energy functional. Use of full exact exchange permits the satisfaction of many exact constraints, but the nonlocality of exchange also requires balanced nonlocality of correlation. We find that this nonlocality can demand at least five empirical parameters, corresponding roughly to the four kinds of abnormal regions. Our local hybrid functional is perhaps the first accurate fourth-rung density functional or hyper-generalized gradient approximation, with full exact exchange

  12. Analysis of N* spectra using matrices of correlation functions based on irreducible baryon operators

    SciTech Connect

    S. Basak; I. Sato; S. Wallace; R. Edwards; G.T. Fleming; D. Richards; R. Fiebig; U.M. Heller; C. Morningstar

    2004-06-01

    We present results for ground and excited-state nucleon masses in quenched lattice QCD using anisotropic lattices. Group theoretical constructions of local and nonlocal straight-link irreducible operators are used to obtain suitable sources and sinks. Matrices of correlation functions are diagonalized to determine the eigenvectors. Both chi-square fitting and Bayesian inference with an entropic prior are used to extract masses from the correlation functions in a given channel. We observe clear separation of the excited state masses from the ground state mass. States of spin >= 5/2 have been isolated by use of G{sub 2} operators.

  13. THEORETICAL ESTIMATES OF TWO-POINT SHEAR CORRELATION FUNCTIONS USING TANGLED MAGNETIC FIELDS

    SciTech Connect

    Pandey, Kanhaiya L.; Sethi, Shiv K.

    2012-03-20

    The existence of primordial magnetic fields can induce matter perturbations with additional power at small scales as compared to the usual {Lambda}CDM model. We study its implication within the context of a two-point shear correlation function from gravitational lensing. We show that a primordial magnetic field can leave its imprints on the shear correlation function at angular scales {approx}< a few arcminutes. The results are compared with CFHTLS data, which yield some of the strongest known constraints on the parameters (strength and spectral index) of the primordial magnetic field. We also discuss the possibility of detecting sub-nano Gauss fields using future missions such as SNAP.

  14. Probing Galactic Structure with the Spatial Correlation Function of SEGUE G-dwarf Stars

    NASA Astrophysics Data System (ADS)

    Mao, Q.; Berlind, A. A.; Holley-Bockelmann, K.; Schlesinger, K. J.; Johnson, J. A.; Rockosi, C. M.

    2014-03-01

    We measure the 3-D two-point correlation function statistic of G-dwarf stars in the Milky Way. The G-dwarf sample is constructed from SDSS SEGUE data by Schlesinger et al. (2012). We find that the shapes of the correlation functions along individual SEGUE lines of sight depend sensitively on both the stellar density gradients and the survey geometry. We compare these SEGUE measurements with mock measurements from smooth disk galaxy models to obtain strong constraints on the thin and thick disk components of the Milky Way.

  15. Empirical source strength correlations for rans-based acoustic analogy methods

    NASA Astrophysics Data System (ADS)

    Kube-McDowell, Matthew Tyndall

    JeNo is a jet noise prediction code based on an acoustic analogy method developed by Mani, Gliebe, Balsa, and Khavaran. Using the flow predictions from a standard Reynolds-averaged Navier-Stokes computational fluid dynamics solver, JeNo predicts the overall sound pressure level and angular spectra for high-speed hot jets over a range of observer angles, with a processing time suitable for rapid design purposes. JeNo models the noise from hot jets as a combination of two types of noise sources; quadrupole sources dependent on velocity fluctuations, which represent the major noise of turbulent mixing, and dipole sources dependent on enthalpy fluctuations, which represent the effects of thermal variation. These two sources are modeled by JeNo as propagating independently into the far-field, with no cross-correlation at the observer location. However, high-fidelity computational fluid dynamics solutions demonstrate that this assumption is false. In this thesis, the theory, assumptions, and limitations of the JeNo code are briefly discussed, and a modification to the acoustic analogy method is proposed in which the cross-correlation of the two primary noise sources is allowed to vary with the speed of the jet and the observer location. As a proof-of-concept implementation, an empirical correlation correction function is derived from comparisons between JeNo's noise predictions and a set of experimental measurements taken for the Air Force Aero-Propulsion Laboratory. The empirical correlation correction is then applied to JeNo's predictions of a separate data set of hot jets tested at NASA's Glenn Research Center. Metrics are derived to measure the qualitative and quantitative performance of JeNo's acoustic predictions, and the empirical correction is shown to provide a quantitative improvement in the noise prediction at low observer angles with no freestream flow, and a qualitative improvement in the presence of freestream flow. However, the results also demonstrate

  16. Method and apparatus for the simultaneous display and correlation of independently generated images

    DOEpatents

    Vaitekunas, Jeffrey J.; Roberts, Ronald A.

    1991-01-01

    An apparatus and method for location by location correlation of multiple images from Non-Destructive Evaluation (NDE) and other sources. Multiple images of a material specimen are displayed on one or more monitors of an interactive graphics system. Specimen landmarks are located in each image and mapping functions from a reference image to each other image are calcuated using the landmark locations. A location selected by positioning a cursor in the reference image is mapped to the other images and location identifiers are simultaneously displayed in those images. Movement of the cursor in the reference image causes simultaneous movement of the location identifiers in the other images to positions corresponding to the location of the reference image cursor.

  17. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

    PubMed

    Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-09-01

    We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations.

  18. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

    PubMed

    Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-09-01

    We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations. PMID:26575912

  19. Characterization of maximally random jammed sphere packings. II. Correlation functions and density fluctuations.

    PubMed

    Klatt, Michael A; Torquato, Salvatore

    2016-08-01

    In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of different correlation functions that arise in rigorous expressions for the effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contact Dirac delta function contribution to the pair correlation function g_{2}(r) for MRJ packings translates into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths; i.e., these packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, for all model systems, we study and compute exclusion probabilities and pore size distributions, as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper of this series, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings that are based on the

  20. Characterization of maximally random jammed sphere packings. II. Correlation functions and density fluctuations

    NASA Astrophysics Data System (ADS)

    Klatt, Michael A.; Torquato, Salvatore

    2016-08-01

    In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of different correlation functions that arise in rigorous expressions for the effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contact Dirac delta function contribution to the pair correlation function g2(r ) for MRJ packings translates into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths; i.e., these packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, for all model systems, we study and compute exclusion probabilities and pore size distributions, as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper of this series, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings that are based on the

  1. Correlation function analysis of the COBE differential microwave radiometer sky maps

    SciTech Connect

    Lineweaver, C.H. |

    1994-08-01

    The Differential Microwave Radiometer (DMR) aboard the COBE satellite has detected anisotropies in the cosmic microwave background (CMB) radiation. A two-point correlation function analysis which helped lead to this discovery is presented in detail. The results of a correlation function analysis of the two year DMR data set is presented. The first and second year data sets are compared and found to be reasonably consistent. The positive correlation for separation angles less than {approximately}20{degree} is robust to Galactic latitude cuts and is very stable from year to year. The Galactic latitude cut independence of the correlation function is strong evidence that the signal is not Galactic in origin. The statistical significance of the structure seen in the correlation function of the first, second and two year maps is respectively > 9{sigma}, > 10{sigma} and > 18{sigma} above the noise. The noise in the DMR sky maps is correlated at a low level. The structure of the pixel temperature covariance matrix is given. The noise covariance matrix of a DMR sky map is diagonal to an accuracy of better than 1%. For a given sky pixel, the dominant noise covariance occurs with the ring of pixels at an angular separation of 60{degree} due to the 60{degree} separation of the DMR horns. The mean covariance of 60{degree} is 0.45%{sub {minus}0.14}{sup +0.18} of the mean variance. The noise properties of the DMR maps are thus well approximated by the noise properties of maps made by a single-beam experiment. Previously published DMR results are not significantly affected by correlated noise.

  2. Density functional with full exact exchange, balanced nonlocality of correlations, and constraint satisfaction

    SciTech Connect

    Tao, Jianmin; Perdew, John P; Staroverov, Viktor N; Scuseria, Gustavo E

    2008-01-01

    We construct a nonlocal density functional approximation with full exact exchange, while preserving the constraint-satisfaction approach and justified error cancellations of simpler semilocal functionals. This is achieved by interpolating between different approximations suitable for two extreme regions of the electron density. In a 'normal' region, the exact exchange-correlation hole density around an electron is semilocal because its spatial range is reduced by correlation and because it integrates over a narrow range to -1. These regions are well described by popular semilocal approximations (many of which have been constructed nonempirically), because of proper accuracy for a slowly-varying density or because of error cancellation between exchange and correlation. 'Abnormal' regions, where non locality is unveiled, include those in which exchange can dominate correlation (one-electron, nonuniform high-density, and rapidly-varying limits), and those open subsystems of fluctuating electron number over which the exact exchange-correlation hole integrates to a value greater than -1. Regions between these extremes are described by a hybrid functional mixing exact and semi local exchange energy densities locally (i.e., with a mixing fraction that is a function of position r and a functional of the density). Because our mixing fraction tends to 1 in the high-density limit, we employ full exact exchange according to the rigorous definition of the exchange component of any exchange-correlation energy functional. Use of full exact exchange permits the satisfaction of many exact constraints, but the nonlocality of exchange also requires balanced nonlocality of correlation. We find that this nonlocality can demand at least five empirical parameters (corresponding roughly to the four kinds of abnormal regions). Our local hybrid functional is perhaps the first accurate size-consistent density functional with full exact exchange. It satisfies other known exact constraints

  3. Functional integration of the posterior superior temporal sulcus correlates with facial expression recognition.

    PubMed

    Wang, Xu; Song, Yiying; Zhen, Zonglei; Liu, Jia

    2016-05-01

    Face perception is essential for daily and social activities. Neuroimaging studies have revealed a distributed face network (FN) consisting of multiple regions that exhibit preferential responses to invariant or changeable facial information. However, our understanding about how these regions work collaboratively to facilitate facial information processing is limited. Here, we focused on changeable facial information processing, and investigated how the functional integration of the FN is related to the performance of facial expression recognition. To do so, we first defined the FN as voxels that responded more strongly to faces than objects, and then used a voxel-based global brain connectivity method based on resting-state fMRI to characterize the within-network connectivity (WNC) of each voxel in the FN. By relating the WNC and performance in the "Reading the Mind in the Eyes" Test across participants, we found that individuals with stronger WNC in the right posterior superior temporal sulcus (rpSTS) were better at recognizing facial expressions. Further, the resting-state functional connectivity (FC) between the rpSTS and right occipital face area (rOFA), early visual cortex (EVC), and bilateral STS were positively correlated with the ability of facial expression recognition, and the FCs of EVC-pSTS and OFA-pSTS contributed independently to facial expression recognition. In short, our study highlights the behavioral significance of intrinsic functional integration of the FN in facial expression processing, and provides evidence for the hub-like role of the rpSTS for facial expression recognition. Hum Brain Mapp 37:1930-1940, 2016. © 2016 Wiley Periodicals, Inc. PMID:26915331

  4. Functional integration of the posterior superior temporal sulcus correlates with facial expression recognition.

    PubMed

    Wang, Xu; Song, Yiying; Zhen, Zonglei; Liu, Jia

    2016-05-01

    Face perception is essential for daily and social activities. Neuroimaging studies have revealed a distributed face network (FN) consisting of multiple regions that exhibit preferential responses to invariant or changeable facial information. However, our understanding about how these regions work collaboratively to facilitate facial information processing is limited. Here, we focused on changeable facial information processing, and investigated how the functional integration of the FN is related to the performance of facial expression recognition. To do so, we first defined the FN as voxels that responded more strongly to faces than objects, and then used a voxel-based global brain connectivity method based on resting-state fMRI to characterize the within-network connectivity (WNC) of each voxel in the FN. By relating the WNC and performance in the "Reading the Mind in the Eyes" Test across participants, we found that individuals with stronger WNC in the right posterior superior temporal sulcus (rpSTS) were better at recognizing facial expressions. Further, the resting-state functional connectivity (FC) between the rpSTS and right occipital face area (rOFA), early visual cortex (EVC), and bilateral STS were positively correlated with the ability of facial expression recognition, and the FCs of EVC-pSTS and OFA-pSTS contributed independently to facial expression recognition. In short, our study highlights the behavioral significance of intrinsic functional integration of the FN in facial expression processing, and provides evidence for the hub-like role of the rpSTS for facial expression recognition. Hum Brain Mapp 37:1930-1940, 2016. © 2016 Wiley Periodicals, Inc.

  5. Method to fabricate functionalized conical nanopores

    DOEpatents

    Small, Leo J.; Spoerke, Erik David; Wheeler, David R.

    2016-07-12

    A pressure-based chemical etch method is used to shape polymer nanopores into cones. By varying the pressure, the pore tip diameter can be controlled, while the pore base diameter is largely unaffected. The method provides an easy, low-cost approach for conically etching high density nanopores.

  6. The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

    NASA Astrophysics Data System (ADS)

    Wijzenbroek, M.; Kroes, G. J.

    2014-02-01

    The specific reaction parameter (SRP) approach to density functional theory (DFT) has enabled a chemically accurate description of reactive scattering experiments for activated H2-metal systems (H2 + Cu(111) and Cu(100)), but its application has not yet resulted in a similarly accurate description of non-activated or weakly activated H2-metal systems. In this study, the effect of the choice of the exchange-correlation functional in DFT on the potential energy surface and dynamics of H2 dissociation on Ru(0001), a weakly activated system, is investigated. In total, full potential energy surfaces were calculated for over 20 different functionals. The functionals investigated include functionals incorporating an approximate description of the van der Waals dispersion in the correlation functional (vdW-DF and vdW-DF2 functionals), as well as the revTPSS meta-GGA. With two of the functionals investigated here, which include vdW-DF and vdW-DF2 correlation, it has been possible to accurately reproduce molecular beam experiments on sticking of H2 and D2, as these functionals yield a reaction probability curve with an appropriate energy width. Diffraction probabilities computed with these two functionals are however too high compared to experimental diffraction probabilities, which are extrapolated from surface temperatures (Ts) ⩾ 500 K to 0 K using a Debye-Waller model. Further research is needed to establish whether this constitutes a failure of the two candidate SRP functionals or a failure of the Debye-Waller model, the use of which can perhaps in future be avoided by performing calculations that include the effect of surface atom displacement or motion, and thereby of the experimental Ts.

  7. Childhood Trauma and Adult Interpersonal Functioning: A Study Using the Core Conflictual Relationship Theme Method (CCRT)

    ERIC Educational Resources Information Center

    Drapeau, M.; Perry, J.C.

    2004-01-01

    Objective: This study aimed to examine the long-term correlates of childhood trauma in regard to interpersonal functioning in adulthood. Method: One hundred and nineteen (N=119) subjects from the Austen Riggs Follow-along Study were included in the study. The Traumatic Antecedent Interview scoring method was used to assess 10 types of childhood…

  8. Frequency response functions of shape features from full-field vibration measurements using digital image correlation

    NASA Astrophysics Data System (ADS)

    Wang, Weizhuo; Mottershead, John E.; Siebert, Thorsten; Pipino, Andrea

    2012-04-01

    The availability of high speed digital cameras has enabled three-dimensional (3D) vibration measurement by stereography and digital image correlation (DIC). The 3D DIC technique provides non-contact full-field measurements on complex surfaces whereas conventional modal testing methods employ point-wise frequency response functions. It is proposed to identify the modal properties by utilising the domain-wise responses captured by a DIC system. This idea will be illustrated by a case study in the form a car bonnet of 3D irregular shape typical of many engineering structures. The full-field measured data are highly redundant, but the application of image processing using functional transformation enables the extraction of a small number of shape features without any significant loss of information from the raw DIC data. The complex bonnet surface on which the displacement responses are measured is essentially a 2-manifold. It is possible to apply surface parameterisation to 'flatten' the 3D surface to form a 2D planar domain. Well-developed image processing techniques are defined on planar domains and used to extract features from the displacement patterns on the surface of a specimen. An adaptive geometric moment descriptor (AGMD), defined on surface parametric space, is able to extract shape features from a series of full-field transient responses under random excitation. Results show the effectiveness of the AGMD and the obtained shape features are demonstrated to be succinct and efficient. Approximately 14 thousand data points of raw DIC measurement are represented by 20 shape feature terms at each time step. Shape-descriptor frequency response functions (SD-FRFs) of the response field and the loading field are derived in the shape feature space. It is seen that the SD-FRF has a similar format to the conventional receptance FRF. The usual modal identification procedure is applied to determine the natural frequencies, damping factors and eigen-shape-feature vectors

  9. Iteration of Complex Functions and Newton's Method

    ERIC Educational Resources Information Center

    Dwyer, Jerry; Barnard, Roger; Cook, David; Corte, Jennifer

    2009-01-01

    This paper discusses some common iterations of complex functions. The presentation is such that similar processes can easily be implemented and understood by undergraduate students. The aim is to illustrate some of the beauty of complex dynamics in an informal setting, while providing a couple of results that are not otherwise readily available in…

  10. [Measurement of path transverse wind velocity profile using light forward scattering scintillation correlation method].

    PubMed

    Yuan, Ke-E; Lü, Wei-Yu; Zheng, Li-Nan; Hu, Shun-Xing; Huang, Jian; Cao, Kai-Fa; Xu, Zhi-Hai

    2014-07-01

    A new method for path transverse wind velocity survey was introduced by analyzing time lagged covariance function of different separation sub-apertures of Hartmann wavefront sensor. A theoretical formula was logically deduced for the light propagation path transverse wind velocity profile. According to the difference of path weighting function for different sub apertures spacing, how to select reasonable path weighting functions was analyzed. Using a Hartmann wavefront sensor, the experiment for measuring path transverse velocity profile along 1 000 m horizontal propagating path was carried out for the first time to our knowledge. The experiment results were as follows. Path transverse averaged velocity from sensor had a good consistency with transverse velocity from the wind anemometer sited near the path receiving end. As the path was divided into two sections, the path transverse velocity of the first section had also a good consistency with that of the second one. Because of different specific underlaying surface of light path, the former was greater than the later over all experiment period. The averaged values were 1.273 and 0.952 m x s(-1) respectively. The path transverse velocity of second section and path transverse averaged velocity had the same trend of decrease and increase with time. The correlation coefficients reached 0.86.

  11. Correlation of thiamine metabolite levels with cognitive function in the non-demented elderly.

    PubMed

    Lu, Jingwen; Pan, Xiaoli; Fei, Guoqiang; Wang, Changpeng; Zhao, Lei; Sang, Shaoming; Liu, Huimin; Liu, Meng; Wang, Hui; Wang, Zhiliang; Zhong, Chunjiu

    2015-12-01

    Thiamine metabolism is critical for glucose metabolism and also vital for brain function, which is susceptible to decline in the elderly. This study aimed to investigate whether thiamine metabolites correlate with cognitive function in the non-demented elderly and their impact factors. Volunteers >60 years old were recruited and their blood thiamine metabolites and Mini-Mental State Examination (MMSE) scores were measured. The apolipoprotein E (APOE) genotype, routine blood parameters, liver and kidney function, and levels of fasting blood glucose and triglycerides were also measured. The results showed that the thiamine diphosphate (TDP) level weakly correlated with MMSE score in the non-demented elderly. Participants with high TDP levels performed better in Recall and Attention and Calculation than those with low TDP. TDP levels were associated with the APOE ε2 allele, body mass index, hemoglobin level, fasting blood glucose, and triglycerides. Our results suggest that TDP, which is easily affected by many factors, impacts cognitive function in the elderly.

  12. Relevant modes selection method based on Spearman correlation coefficient for laser signal denoising using empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Duan, Yabo; Song, Chengtian

    2016-10-01

    Empirical mode decomposition (EMD) is a recently proposed nonlinear and nonstationary laser signal denoising method. A noisy signal is broken down using EMD into oscillatory components that are called intrinsic mode functions (IMFs). Thresholding-based denoising and correlation-based partial reconstruction of IMFs are the two main research directions for EMD-based denoising. Similar to other decomposition-based denoising approaches, EMD-based denoising methods require a reliable threshold to determine which IMFs are noise components and which IMFs are noise-free components. In this work, we propose a new approach in which each IMF is first denoised using EMD interval thresholding (EMD-IT), and then a robust thresholding process based on Spearman correlation coefficient is used for relevant modes selection. The proposed method tackles the problem using a thresholding-based denoising approach coupled with partial reconstruction of the relevant IMFs. Other traditional denoising methods, including correlation-based EMD partial reconstruction (EMD-Correlation), discrete Fourier transform and wavelet-based methods, are investigated to provide a comparison with the proposed technique. Simulation and test results demonstrate the superior performance of the proposed method when compared with the other methods.

  13. Evaluation of Phase Locking and Cross Correlation Methods for Estimating the Time Lag between Brain Sites: A Simulation Approach

    PubMed Central

    Soltanzadeh, Mohammad Javad; Daliri, Mohammad Reza

    2014-01-01

    Introduction Direction and latency of electrical connectivity between different sites of brain explains brain neural functionality. We compared efficiency of cross correlation and phase locking methods in time lag estimation which are based on local field potential (LFP) and LFP-spike signals, respectively. Methods Signals recorded from MT area of a macaque's brain was used in a simulation approach. The first signal was real brain activity and the second was identical to the first one, but with two kinds of delayed and not delayed forms. Time lag between two signals was estimated by cross correlation and phase locking methods. Results Both methods estimated the time lags with no errors. Phase locking was not as time efficient as correlation. In addition, phase locking suffered from temporal self bias. Discussion Correlation was a more efficient method. Phase locking was not considered as a proper method to estimate the time lags between brain sites due to time inefficiency and self bias, the problems which are reported for the first time about this method. PMID:25337381

  14. Subclinical respiratory dysfunction in chronic cervical cord compression: a pulmonary function test correlation.

    PubMed

    Bhagavatula, Indira Devi; Bhat, Dhananjaya I; Sasidharan, Gopalakrishnan M; Mishra, Rakesh Kumar; Maste, Praful Suresh; Vilanilam, George C; Sathyaprabha, Talakkad N

    2016-06-01

    OBJECTIVE Respiratory abnormalities are well documented in acute spinal cord injury; however, the literature available for respiratory dysfunction in chronic compressive myelopathy (CCM) is limited. Respiratory dysfunction in CCM is often subtle and subclinical. The authors studied the pattern of respiratory dysfunction in patients with chronic cord compression by using spirometry, and the clinical and surgical implications of this dysfunction. In this study they also attempted to address the postoperative respiratory function in these patients. METHODS A prospective study was done in 30 patients in whom cervical CCM due to either cervical spondylosis or ossification of the posterior longitudinal ligament (OPLL) was diagnosed. Thirty age-matched healthy volunteers were recruited as controls. None of the patients included in the study had any symptoms or signs of respiratory dysfunction. After clinical and radiological diagnosis, all patients underwent pulmonary function tests (PFTs) performed using a standardized Spirometry Kit Micro before and after surgery. The data were analyzed using Statistical Software SPSS version 13.0. Comparison between the 2 groups was done using the Student t-test. The Pearson correlation coefficient was used for PFT results and Nurick classification scores. A p value < 0.05 was considered significant. RESULTS Cervical spondylotic myelopathy (prolapsed intervertebral disc) was the predominant cause of compression (n = 21, 70%) followed by OPLL (n = 9, 30%). The average patient age was 45.06 years. Degenerative cervical spine disease has a relatively younger onset in the Indian population. The majority of the patients (n = 28, 93.3%) had compression at or above the C-5 level. Ten patients (33.3%) underwent an anterior approach and discectomy, 11 patients (36.7%) underwent decompressive laminectomy, and the remaining 9 underwent either corpectomy with fusion or laminoplasty. The mean preoperative forced vital capacity (FVC) (65%) of the

  15. Subclinical respiratory dysfunction in chronic cervical cord compression: a pulmonary function test correlation.

    PubMed

    Bhagavatula, Indira Devi; Bhat, Dhananjaya I; Sasidharan, Gopalakrishnan M; Mishra, Rakesh Kumar; Maste, Praful Suresh; Vilanilam, George C; Sathyaprabha, Talakkad N

    2016-06-01

    OBJECTIVE Respiratory abnormalities are well documented in acute spinal cord injury; however, the literature available for respiratory dysfunction in chronic compressive myelopathy (CCM) is limited. Respiratory dysfunction in CCM is often subtle and subclinical. The authors studied the pattern of respiratory dysfunction in patients with chronic cord compression by using spirometry, and the clinical and surgical implications of this dysfunction. In this study they also attempted to address the postoperative respiratory function in these patients. METHODS A prospective study was done in 30 patients in whom cervical CCM due to either cervical spondylosis or ossification of the posterior longitudinal ligament (OPLL) was diagnosed. Thirty age-matched healthy volunteers were recruited as controls. None of the patients included in the study had any symptoms or signs of respiratory dysfunction. After clinical and radiological diagnosis, all patients underwent pulmonary function tests (PFTs) performed using a standardized Spirometry Kit Micro before and after surgery. The data were analyzed using Statistical Software SPSS version 13.0. Comparison between the 2 groups was done using the Student t-test. The Pearson correlation coefficient was used for PFT results and Nurick classification scores. A p value < 0.05 was considered significant. RESULTS Cervical spondylotic myelopathy (prolapsed intervertebral disc) was the predominant cause of compression (n = 21, 70%) followed by OPLL (n = 9, 30%). The average patient age was 45.06 years. Degenerative cervical spine disease has a relatively younger onset in the Indian population. The majority of the patients (n = 28, 93.3%) had compression at or above the C-5 level. Ten patients (33.3%) underwent an anterior approach and discectomy, 11 patients (36.7%) underwent decompressive laminectomy, and the remaining 9 underwent either corpectomy with fusion or laminoplasty. The mean preoperative forced vital capacity (FVC) (65%) of the

  16. Correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi Chuan.

    PubMed

    Gatica-Rojas, Valeska; Cartes-Velásquez, Ricardo; Salgado-Méndez, Rodrigo; Castro-Ramírez, Rodolfo

    2016-08-01

    [Purpose] This study aimed to determine the correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi. [Subjects and Methods] For the study, nine non-faller elderly practitioners of Tai Chi who were able to maintain a standing posture and walk independently were recruited. Timed one-leg standing and timed up-and-go tests were used as functional balance tests and force platform to measure the center of pressure. The Pearson correlation coefficient was calculated for the timed up-and-go/timed one-leg standing test scores and center of pressure parameter values. [Results] None of the correlations was statistically significant, but moderate correlations were observed between the pairs timed one-leg standing/sway area of center of pressure, timed one-leg standing/standard deviation of center of pressure in the mediolateral direction, timed one-leg standing/mean velocity of center of pressure in the anteroposterior direction, and timed up-and-go test sway area of center of pressure. [Conclusion] Timed one-leg standing is more appropriate than timed up-and-go test for the measurement of functional balance in non-faller elderly practitioners of Tai Chi. PMID:27630430

  17. Correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi Chuan

    PubMed Central

    Gatica-Rojas, Valeska; Cartes-Velásquez, Ricardo; Salgado-Méndez, Rodrigo; Castro-Ramírez, Rodolfo

    2016-01-01

    [Purpose] This study aimed to determine the correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi. [Subjects and Methods] For the study, nine non-faller elderly practitioners of Tai Chi who were able to maintain a standing posture and walk independently were recruited. Timed one-leg standing and timed up-and-go tests were used as functional balance tests and force platform to measure the center of pressure. The Pearson correlation coefficient was calculated for the timed up-and-go/timed one-leg standing test scores and center of pressure parameter values. [Results] None of the correlations was statistically significant, but moderate correlations were observed between the pairs timed one-leg standing/sway area of center of pressure, timed one-leg standing/standard deviation of center of pressure in the mediolateral direction, timed one-leg standing/mean velocity of center of pressure in the anteroposterior direction, and timed up-and-go test sway area of center of pressure. [Conclusion] Timed one-leg standing is more appropriate than timed up-and-go test for the measurement of functional balance in non-faller elderly practitioners of Tai Chi. PMID:27630430

  18. Correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi Chuan.

    PubMed

    Gatica-Rojas, Valeska; Cartes-Velásquez, Ricardo; Salgado-Méndez, Rodrigo; Castro-Ramírez, Rodolfo

    2016-08-01

    [Purpose] This study aimed to determine the correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi. [Subjects and Methods] For the study, nine non-faller elderly practitioners of Tai Chi who were able to maintain a standing posture and walk independently were recruited. Timed one-leg standing and timed up-and-go tests were used as functional balance tests and force platform to measure the center of pressure. The Pearson correlation coefficient was calculated for the timed up-and-go/timed one-leg standing test scores and center of pressure parameter values. [Results] None of the correlations was statistically significant, but moderate correlations were observed between the pairs timed one-leg standing/sway area of center of pressure, timed one-leg standing/standard deviation of center of pressure in the mediolateral direction, timed one-leg standing/mean velocity of center of pressure in the anteroposterior direction, and timed up-and-go test sway area of center of pressure. [Conclusion] Timed one-leg standing is more appropriate than timed up-and-go test for the measurement of functional balance in non-faller elderly practitioners of Tai Chi.

  19. Correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi Chuan

    PubMed Central

    Gatica-Rojas, Valeska; Cartes-Velásquez, Ricardo; Salgado-Méndez, Rodrigo; Castro-Ramírez, Rodolfo

    2016-01-01

    [Purpose] This study aimed to determine the correlation between center of pressure and functional balance in non-faller elderly practitioners of Tai Chi. [Subjects and Methods] For the study, nine non-faller elderly practitioners of Tai Chi who were able to maintain a standing posture and walk independently were recruited. Timed one-leg standing and timed up-and-go tests were used as functional balance tests and force platform to measure the center of pressure. The Pearson correlation coefficient was calculated for the timed up-and-go/timed one-leg standing test scores and center of pressure parameter values. [Results] None of the correlations was statistically significant, but moderate correlations were observed between the pairs timed one-leg standing/sway area of center of pressure, timed one-leg standing/standard deviation of center of pressure in the mediolateral direction, timed one-leg standing/mean velocity of center of pressure in the anteroposterior direction, and timed up-and-go test sway area of center of pressure. [Conclusion] Timed one-leg standing is more appropriate than timed up-and-go test for the measurement of functional balance in non-faller elderly practitioners of Tai Chi.

  20. Skeletal muscle mass adjusted by height correlated better with muscular functions than that adjusted by body weight in defining sarcopenia.

    PubMed

    Han, Der-Sheng; Chang, Ke-Vin; Li, Chia-Ming; Lin, Yu-Hong; Kao, Tung-Wei; Tsai, Keh-Sung; Wang, Tyng-Grey; Yang, Wei-Shiung

    2016-01-20

    Sarcopenia, characterized by low muscle mass and function, results in frailty, comorbidities and mortality. However, its prevalence varies according to the different criteria used in its diagnosis. This cross-sectional study investigated the difference in the number of sarcopenia cases recorded by two different measurement methods of low muscle mass to determine which measurement was better. We recruited 878 (54.2% female) individuals aged over 65 years and obtained their body composition and functional parameters. Low muscle mass was defined as two standard deviations below either the mean height-adjusted (hSMI) or weight-adjusted (wSMI) muscle mass of a young reference group. The prevalence of sarcopenia was 6.7% vs. 0.4% (male/female) by hSMI, and 4.0% vs. 10.7% (male/female) by wSMI. The κ coefficients for these two criteria were 0.39 vs. 0.03 (male/female), and 0.17 in all subjects. Serum myostatin levels correlated positively with gait speed (r = 0.142, p = 0.007) after adjustment for gender. hSMI correlated with grip strength, cardiopulmonary endurance, leg endurance, gait speed, and flexibility. wSMI correlated with grip strength, leg endurance, gait speed, and flexibility. Since hSMI correlated more closely with grip strength and more muscular functions, we recommend hSMI in the diagnosis of low muscle mass.

  1. Maps of current density using density-functional methods

    NASA Astrophysics Data System (ADS)

    Soncini, A.; Teale, A. M.; Helgaker, T.; de Proft, F.; Tozer, D. J.

    2008-08-01

    The performance of several density-functional theory (DFT) methods for the calculation of current densities induced by a uniform magnetic field is examined. Calculations are performed using the BLYP and KT3 generalized-gradient approximations, together with the B3LYP hybrid functional. For the latter, both conventional and optimized effective potential (OEP) approaches are used. Results are also determined from coupled-cluster singles-and-doubles (CCSD) electron densities by a DFT constrained search procedure using the approach of Wu and Yang (WY). The current densities are calculated within the CTOCD-DZ2 distributed origin approach. Comparisons are made with results from Hartree-Fock (HF) theory. Several small molecules for which correlation is known to be especially important in the calculation of magnetic response properties are considered-namely, O3, CO, PN, and H2CO. As examples of aromatic and antiaromatic systems, benzene and planarized cyclooctatetraene molecules are considered, with specific attention paid to the ring current phenomenon and its Kohn-Sham orbital origin. Finally, the o-benzyne molecule is considered as a computationally challenging case. The HF and DFT induced current maps show qualitative differences, while among the DFT methods the maps show a similar qualitative structure. To assess quantitative differences in the calculated current densities with different methods, the maximal moduli of the induced current densities are compared and integration of the current densities to yield shielding constants is performed. In general, the maximal modulus is reduced in moving from HF to B3LYP and BLYP, and further reduced in moving to KT3, OEP(B3LYP), and WY(CCSD). The latter three methods offer the most accurate shielding constants in comparison with both experimental and ab initio data and hence the more reliable route to DFT calculation of induced current density in molecules.

  2. Getting full control of canonical correlation analysis with the AutoBiplot.CCA function

    NASA Astrophysics Data System (ADS)

    Alves, M. Rui

    2016-06-01

    Function AutoBiplot.CCA was built in R language. Given two multivariate data sets, this function carries out a conventional canonical correlation analysis, followed by the automatic production of predictive biplots based on the accuracy of readings as assessed by a mean standard predictive error and a user defined tolerance value. As the user's intervention is mainly restricted to the choice of the magnitude of the t.axis value, common misinterpretations, overestimations and adjustments between outputs and personal beliefs are avoided.

  3. Correction of Correlation Errors in Greenland Ice Mass Variations from GRACE using Empirical Orthogonal Function

    NASA Astrophysics Data System (ADS)

    Eom, J.; Seo, K. W.

    2015-12-01

    Since its launch in March 2002, the Gravity Recovery And Climate Experiment (GRACE) has provided monthly geopotential fields represented by Stokes coefficients of spherical harmonics (SH). Nominally, GRACE gravity solutions exclude effects from tides, ocean dynamics and barometric pressure by incorporating geophysical models for them. However, those models are imperfect, and thus GRACE solutions include the residual gravity effects. Particularly, unmodeled gravity variations of sub-monthly or shorter time scale cause aliasing error, which produces peculiar longitudinal stripes. Those north-south patterns are removed by spatial filtering, but caution is necessary for the aliasing correction because signals with longitudinal patterns are possibly removed during the procedure. This would be particularly problematic for studies associated with Greenland ice mass balance since large ice mass variations are expected in the West and South-West coast of Greenland that are elongated along the longitudinal direction. In this study, we develop a novel method to remove the correlation error using extended Empirical Orthogonal Function (extended EOF). The extended EOF is useful to separate spatially and temporally coherent signal from high frequency variations. Since temporal variability of the correlation error is high, the error is possibly removed via the extended EOF. Ice mass variations reduced by the extended EOF show more detail patterns of ice mass loss/gain than those from the conventional spatial filtering. Large amount of ice loss has occurred along the West, South-West and East coastal area during summer. The extended EOF is potentially useful to enhance signal to noise ratio and increase spatial resolution of GRACE data.

  4. Interactions between polyacrylonitrile and solvents: density functional theory study and two-dimensional infrared correlation analysis.

    PubMed

    Wu, Qing-Yun; Chen, Xiao-Na; Wan, Ling-Shu; Xu, Zhi-Kang

    2012-07-19

    Polyacrylonitrile (PAN) is a semicrystalline polymer with high polarity and is usually processed from solutions. Selected solvents for processing influence both the structure and properties of PAN products. We describe the interactions between PAN and various solvents by theoretical calculation based on density functional theories (DFT), and by experimental methods of Fourier transform infrared (FTIR) spectra and two-dimensional infrared (2D-IR) correlation analysis. The selected solvents include dimethyl sulfone (DMSO2), dimethyl sulfoxide (DMSO), ethylene carbonate (EC), propylene carbonate (PC), N,N-dimethyl formamide (DMF), and N,N-dimethyl acetamide (DMAc). Calculation results show that the PAN model monomer (PAN') interacts with each solvent through dipole-dipole interaction and formed PAN'-solvent complexes. Each complex displays an antiparallel alignment of interacting pair between the C≡N group of PAN' and the polar group of solvent molecule (S═O or C═O group). The calculated binding energies (ΔE) reveal that PAN' preferentially interacts with solvent in the order of DMSO2 > DMSO > EC > PC > DMF > DMAc. Red shifts of vibration frequencies are observed for C≡N, S═O, and C═O stretching bands. The C≡N stretching band shifts from 2245 cm(-1) in PAN to 2240, 2242, and 2241 cm(-1) in PAN-DMSO, PAN-EC, and PAN-DMF mixtures, respectively, indicating the existence of PAN-solvent interactions. Moreover, 2D-IR correlation analysis shows that as the PAN content increases, DMSO molecules vary prior to PAN-DMSO complexes, and change earlier than PAN bulk. However, PAN-EC and PAN-DMF mixtures follow the order of PAN bulk > PAN-solvent complexes > solvent molecules. This combination of theoretical simulation and experimental characterization is useful in selection of solvents for PAN or even other polar polymers and can provide an insight into the physical behavior of PAN-solvent complexes. PMID:22702536

  5. Paternal correlates of cognitive and behavioral functioning in children with myelomeningocele.

    PubMed

    Wohlfeiler, Melissa M; Macias, Michelle M; Saylor, Conway F

    2008-11-01

    This study examined paternal correlates of the cognitive and behavioral functioning of children with myelomeningocele, when controlling for maternal and biological/child correlates as possible sources of variance. Participants were 48 parent dyads of children with myelomeningocele (21 males, 27 females) between the ages of 4 and 12 years (mean 8y, 2mo, SD 2y 3mo). Lesion levels of participants ranged from the thoracic to sacral (thoracic-L3: n=15; L4-L5: n=15; sacral or lipomeningocele: n=18), of whom 38 had been shunted for hydrocephalus. Half of the participants (n=24) were community ambulators. Potential predictors of cognitive and behavioral functioning included paternal and maternal parenting stress, as assessed by the Parenting Stress Index - Short Form paternal, and maternal perceptions of support and resources, as assessed by the Family Resource Scale and the Family Support Scale, and child medical severity. Paternal variables significantly correlated with behavioral functioning but not with cognitive functioning. Regression analyses revealed that paternal personal distress and maternal perceived adequacy of social support accounted for significant variance in overall child behavioral functioning. Only child medical severity and annual household income explained significant variance in overall child cognitive functioning. These findings add to the growing body of theory and research documenting that fathers make unique and significant contributions to child adjustment in children with myelomeningocele. Both fathers and mothers need to be considered in interventions supporting development and adjustment of children with myelomeningocele and their families.

  6. Measuring the speed of electromagnetic waves using the cross correlation function of broadband noise at the ends of a transmission line

    NASA Astrophysics Data System (ADS)

    Pérez, Alberto T.

    2011-10-01

    When one end of a transmission line is connected to a broadband noise generator, sharp peaks are visible in the cross-correlation function of the signals at both ends of the line. The speed of the electromagnetic waves can be deduced from the time when the peaks appear. The method is suitable for introducing the concepts of cross-correlation functions and noise analysis in an undergraduate physics laboratory.

  7. Neural reconstruction methods of restoring bladder function

    PubMed Central

    Gomez-Amaya, Sandra M.; Barbe, Mary F.; de Groat, William C.; Brown, Justin M.; Tuite, Gerald F.; Corcos, Jacques; Fecho, Susan B.; Braverman, Alan S.; Ruggieri, Michael R.

    2015-01-01

    During the past century, diverse studies have focused on the development of surgical strategies to restore function of a decentralized bladder after spinal cord or spinal root injury via repair of the original roots or by transferring new axonal sources. The techniques included end-to-end sacral root repairs, transfer of roots from other spinal segments to sacral roots, transfer of intercostal nerves to sacral roots, transfer of various somatic nerves to the pelvic or pudendal nerve, direct reinnervation of the detrusor muscle, or creation of an artificial reflex pathway between the skin and the bladder via the central nervous system. All of these surgical techniques have demonstrated specific strengths and limitations. The findings made to date already indicate appropriate patient populations for each procedure, but a comprehensive assessment of the effectiveness of each technique to restore urinary function after bladder decentralization is required to guide future research and potential clinical application. PMID:25666987

  8. ISOTROPY IN THE TWO-POINT ANGULAR CORRELATION FUNCTION OF THE COSMIC MICROWAVE BACKGROUND

    SciTech Connect

    Zhang, Sophie

    2012-04-01

    We study the directional dependence of the angular two-point correlation function in maps of the cosmic microwave background (CMB). We propose two new statistics: one which measures the correlation of each point in the sky with a ring of points separated an angle {theta} away, and a second one that measures the missing angular correlation above 60 deg as a function of direction. Using these statistics, we find that most of the low power in cut-sky maps measured by the Wilkinson Microwave Anisotropy Probe experiment comes from unusually low contributions from the directions of the lobes of the quadrupole and the octupole. These findings may aid a future explanation of why the CMB exhibits low power at large angular scales.

  9. Accurate and efficient calculation of discrete correlation functions and power spectra

    NASA Astrophysics Data System (ADS)

    Xu, Y. F.; Liu, J. M.; Zhu, W. D.

    2015-07-01

    Operational modal analysis (OMA), or output-only modal analysis, has been widely conducted especially when excitation applied on a structure is unknown or difficult to measure. Discrete cross-correlation functions and cross-power spectra between a reference data series and measured response data series are bases for OMA to identify modal properties of a structure. Such functions and spectra can be efficiently transformed from each other using the discrete Fourier transform (DFT) and inverse DFT (IDFT) based on the cross-correlation theorem. However, a direct application of the theorem and transforms, including the DFT and IDFT, can yield physically erroneous results due to periodic extension of the DFT on a function of a finite length to be transformed, which is false most of the time. Padding zero series to ends of data series before applying the theorem and transforms can reduce the errors, but the results are still physically erroneous. A new methodology is developed in this work to calculate discrete cross-correlation functions of non-negative time delays and associated cross-power spectra, referred to as half spectra, for OMA. The methodology can be extended to cross-correlation functions of any time delays and associated cross-power spectra, referred to as full spectra. The new methodology is computationally efficient due to use of the transforms. Data series are properly processed to avoid the errors caused by the periodic extension, and the resulting cross-correlation functions and associated cross-power spectra perfectly comply with their definitions. A coherence function, a convergence function, and a convergence index are introduced to evaluate qualities of measured cross-correlation functions and associated cross-power spectra. The new methodology was numerically and experimentally applied to an ideal two-degree-of-freedom (2-DOF) mass-spring-damper system and a damaged aluminum beam, respectively, and OMA was conducted using half spectra to estimate

  10. Computer Simulation for Calculating the Second-Order Correlation Function of Classical and Quantum Light

    ERIC Educational Resources Information Center

    Facao, M.; Lopes, A.; Silva, A. L.; Silva, P.

    2011-01-01

    We propose an undergraduate numerical project for simulating the results of the second-order correlation function as obtained by an intensity interference experiment for two kinds of light, namely bunched light with Gaussian or Lorentzian power density spectrum and antibunched light obtained from single-photon sources. While the algorithm for…

  11. Exchange-correlation functionals from a local interpolation along the adiabatic connection

    NASA Astrophysics Data System (ADS)

    Vuckovic, Stefan; Irons, Tom; Teale, Andrew; Savin, Andreas; Gori-Giorgi, Paola

    We use the adiabatic connection formalism to construct a density functional by doing an interpolation between the weak and the strong coupling regime. Combining the information from the two limits, we are able to construct an exchange-correlation (xc) density functional free of the bias towards weakly correlated system, which is present in the majority of approximate xc functionals. Previous attempts in doing the interpolation between the two regimes, such as the interaction strength interpolation (ISI), had a fundamental flaw: the lack of size-consistency, as the corresponding functional depends non-linearly on the global (integrated over all space) ingredients. To recover size-consistency in such a framework, we move from the global to local quantities. We use the energy densities as local quantities in the gauge of the electrostatic potential of the xc hole. We use the ``strictly-correlated electrons'' (SCE) approach to compute the energy densities in the strong-coupling limit and the Lieb maximization algorithm to extract the energy densities from the low-coupling regime. We then test the accuracy of the local interpolation schemes by using the nearly exact local energy densities. In this talk I am going to present our results with the emphasis on strongly correlated systems.

  12. Correlation functions for a di-neutron condensate in asymmetric nuclear matter

    NASA Astrophysics Data System (ADS)

    Isayev, A. A.

    2008-07-01

    Recent calculations with an effective isospin-dependent contact interaction show the possibility of the crossover from superfluidity of neutron Cooper pairs in the S10 pairing channel to Bose-Einstein condensation (BEC) of di-neutron bound states in dilute nuclear matter. The density and spin correlation functions are calculated for a di-neutron condensate in asymmetric nuclear matter with the aim of finding the possible features of the BCS-BEC crossover. It is shown that the zero-momentum transfer spin correlation function satisfies the sum rule at zero temperature. In symmetric nuclear matter, the density correlation function changes sign at low momentum transfer across the BCS-BEC transition, and this feature can be considered as a signature of the crossover. At finite isospin asymmetry, this criterion gives too large a value for the critical asymmetry αcd~0.9, at which the BEC state is quenched. Therefore, it can be trusted for the description of the density-driven BCS-BEC crossover of neutron pairs only at small isospin asymmetry. This result generalizes the conclusion of the study in Phys. Rev. Lett. 95, 090402 (2005), where the change of sign of the density correlation function at low momentum transfer in two-component quantum fermionic atomic gas with the balanced populations of fermions of different species was considered as an unambiguous signature of the BCS-BEC transition.

  13. Individual Differences in General Intelligence Correlate with Brain Function during Nonreasoning Tasks.

    ERIC Educational Resources Information Center

    Haier, Richard J.; White, Nathan S.; Alkire, Michael T.

    2003-01-01

    Administered Raven's Advanced Progressive Matrices to 22 adults and measured cerebral glucose activity as subjects viewed videos on 2 occasions. Data provide evidence that individual differences in intelligence correlate with brain function even when the brain is engaged in non-reasoning tasks. (SLD)

  14. Monitoring of quantum mode correlation functions in the presence of pointer state phase relaxation

    NASA Astrophysics Data System (ADS)

    Trifanova, E.; Trifanov, A.

    2016-08-01

    In present work we investigate the process of interaction between two-level atom- pointer and cavity mode to obtain correlation functions of mode quantum state. In particular, we analyze the protocol of indirect photodetection which allow estimations for average values of photon number operator in any order using statistics of atom state detector clicks.

  15. Correlates of Communalities as Matching Variables in Differential Item Functioning Analyses

    ERIC Educational Resources Information Center

    Yildirim, Huseyin H.; Yildirim, Selda

    2011-01-01

    Multivariate matching in Differential Item Functioning (DIF) analyses may contribute to understand the sources of DIF. In this context, detecting appropriate additional matching variables is a crucial issue. This present article argues that the variables which are correlated with communalities in item difficulties can be used as an additional…

  16. Correlation of CT cerebral vascular territories with function. 3. Middle cerebral artery

    SciTech Connect

    Berman, S.A.; Hayman, L.A.; Hinck, V.C.

    1984-05-01

    Schematic displays are presented of the cerebral territories supplied by branches of the middle cerebral artery as they would appear on axial and coronal computed tomographic (CT) scan sections. Companion diagrams of regional cortical function and a discussion of the fiber tracts are provided to simplify correlation of clinical deficits with coronal and axial CT abnormalities.

  17. Correlation of CT-based regional cardiac function (SQUEEZ) with myocardial strain calculated from tagged MRI: an experimental study.

    PubMed

    Pourmorteza, Amir; Chen, Marcus Y; van der Pals, Jesper; Arai, Andrew E; McVeigh, Elliot R

    2016-05-01

    The objective of this study was to investigate the correlation between local myocardial function estimates from CT and myocardial strain from tagged MRI in the same heart. Accurate detection of regional myocardial dysfunction can be an important finding in the diagnosis of functionally significant coronary artery disease. Tagged MRI is currently a reference standard for noninvasive regional myocardial function analysis; however, it has practical drawbacks. We have developed a CT imaging protocol and automated image analysis algorithm for estimating regional cardiac function from a few heartbeats. This method tracks the motion of the left ventricular (LV) endocardial surface to produce local function maps: we call the method Stretch Quantification of Endocardial Engraved Zones (SQUEEZ). Myocardial infarction was created by ligation of the left anterior descending coronary artery for 2 h followed by reperfusion in canine models. Tagged and cine MRI scans were performed during the reperfusion phase and first-pass contrast enhanced CT scans were acquired. The average delay between the CT and MRI scans was <1 h. Circumferential myocardial strain (Ecc) was calculated from the tagged MRI data. The agreement between peak systolic Ecc and SQUEEZ was investigated in 162 segments in the 9 hearts. Linear regression and Bland-Altman analysis was used to assess the correlation between the two metrics of local LV function. The results show good agreement between SQUEEZ and Ecc: (r = 0.71, slope = 0.78, p < 0.001). Furthermore, Bland-Altman showed a small bias of -0.02 with 95 % confidence interval of 0.1, and standard deviation of 0.05 representing ~6.5 % of the dynamic range of LV function. The good agreement between the estimates of local myocardial function obtained from CT SQUEEZ and tagged MRI provides encouragement to investigate the use of SQUEEZ for measuring regional cardiac function at a low clinical dose in humans.

  18. Gravitational clustering of galaxies: Derivation of two-point galaxy correlation function using statistical mechanics of cosmological many-body problem

    NASA Astrophysics Data System (ADS)

    Ahmad, Farooq; Malik, Manzoor A.; Bhat, M. Maqbool

    2016-07-01

    We derive the spatial pair correlation function in gravitational clustering for extended structure of galaxies (e.g. galaxies with halos) by using statistical mechanics of cosmological many-body problem. Our results indicate that in the limit of point masses (ɛ=0) the two-point correlation function varies as inverse square of relative separation of two galaxies. The effect of softening parameter `ɛ' on the pair correlation function is also studied and results indicate that two-point correlation function is affected by the softening parameter when the distance between galaxies is small. However, for larger distance between galaxies, the two-point correlation function is not affected at all. The correlation length r0 derived by our method depends on the random dispersion velocities < v2rangle^{1/2} and mean number density bar{n}, which is in agreement with N-body simulations and observations. Further, our results are applicable to the clusters of galaxies for their correlation functions and we apply our results to obtain the correlation length r0 for such systems which again agrees with the data of N-body simulations and observations.

  19. Pulmonary thallium uptake: Correlation with systolic and diastolic left ventricular function at rest and during exercise

    SciTech Connect

    Mannting, F. )

    1990-05-01

    Quantified pulmonary 201-thallium uptake, assessed as pulmonary/myocardial ratios (PM) and body surface area-corrected absolute pulmonary uptake (Pc), was determined from single photon emission computed tomography studies in 22 normal subjects and 46 consecutive patients with coronary artery disease (CAD). By means of equilibrium radionuclide angiography (ERNA), ejection fraction (EF), peak ejection rate (PER) in end-diastolic volume (EDV/sec) and peak filling rate (PFR) in EDV/sec and stroke volume (SV/sec) units, PFR/PER ratio, and time to peak filling rate (TPFR) in milliseconds were computed at rest and during exercise (n = 35). Left ventricular response to exercise was assessed as delta EF, relative delta EF, delta EDV, and delta ESV. In normal subjects the PM ratios showed significant inverse correlation with PER at rest and with EF, PER, and PFRedv during exercise. For the left ventricular response to exercise, delta ESV showed significant correlation with the PM ratios. The body surface area-corrected pulmonary uptake values showed no correlation with any of the variables. In patients with CAD the PM ratios and Pc uptake showed significant inverse correlation with EF, PER, PFRedv and to exercise EF, exercise PER, and exercise PFRedv. For the left ventricular response to exercise, delta EF showed significant inverse correlation with the PM ratios but not with the Pc uptake. Neither in normal subjects nor in patients with CAD did any of the independent diastolic variables show significant correlation with the PM ratios or Pc values. Thus pulmonary thallium uptake is correlated with systolic left ventricular function at rest and during exercise in normal subjects and in patients with CAD but not with diastolic function. In normal subjects delta ESV and in patients with CAD, delta EF showed correlation with pulmonary thallium uptake.

  20. Correlation of Left Ventricular Diastolic Function and Left Ventricular Geometry in Patients with Obstructive Sleep Apnoea Syndrome

    PubMed Central

    Wang, J; Zhang, H; Wu, C; Han, J; Guo, Z; Jia, C; Yang, L; Hao, Y; Xu, K; Liu, X; Si, J

    2015-01-01

    ABSTRACT Background: The aim of this study is to evaluate the correlation of the left ventricular diastolic function and the left ventricular geometry in patients with obstructive sleep apnoea syndrome (OSAS) by echocardiography. Methods: The 181 patients diagnosed with OSAS were divided into the normal geometry group (NG), the concentric remodelling group (CR), the eccentric hypertrophy group (EH) and the concentric hypertrophy group (CH). Pearson correlation analysis and multiple linear regression analysis were performed toward the correlation of the left ventricular diastolic function and the left ventricular geometry. Results: The E peak in the EH and CH group was significantly reduced, with significant difference; the E/A, Em, Am and Em/Am was reduced in the order of the CR, EH and CH groups, while E/Em was increased, and the difference was significant. Pearson correlation analysis revealed that the Em/Am showed significant negative correlations with the left ventricular mass index (LVMI) [r = −0.419] and relative wall thickness (RWT) [r = −0.289], while the E/Em was significantly positively correlated with the LVMI (r = 0.638) and RWT [r = 0.328] (p < 0.001). Multiple linear regression analysis revealed that LVMI and RWT had influence on the Em/Am and E/Em (r2 = 0.402, r2 = 0.107, p < 0.001). The left ventricular diastolic dysfunction was the worst in the CH group. Conclusions: There was correlation between the left ventricular diastolic dysfunction and the changes in cardiac geometry. PMID:26360680

  1. Genus Two Partition and Correlation Functions for Fermionic Vertex Operator Superalgebras I

    NASA Astrophysics Data System (ADS)

    Tuite, Michael P.; Zuevsky, Alexander

    2011-09-01

    We define the partition and n-point correlation functions for a vertex operator superalgebra on a genus two Riemann surface formed by sewing two tori together. For the free fermion vertex operator superalgebra we obtain a closed formula for the genus two continuous orbifold partition function in terms of an infinite dimensional determinant with entries arising from torus Szegő kernels. We prove that the partition function is holomorphic in the sewing parameters on a given suitable domain and describe its modular properties. Using the bosonized formalism, a new genus two Jacobi product identity is described for the Riemann theta series. We compute and discuss the modular properties of the generating function for all n-point functions in terms of a genus two Szegő kernel determinant. We also show that the Virasoro vector one point function satisfies a genus two Ward identity.

  2. Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo

    SciTech Connect

    Clay, Raymond C.; Mcminis, Jeremy; McMahon, Jeffrey M.; Pierleoni, Carlo; Ceperley, David M.; Morales, Miguel A.

    2014-05-01

    The ab initio phase diagram of dense hydrogen is very sensitive to errors in the treatment of electronic correlation. Recently, it has been shown that the choice of the density functional has a large effect on the predicted location of both the liquid-liquid phase transition and the solid insulator-to-metal transition in dense hydrogen. To identify the most accurate functional for dense hydrogen applications, we systematically benchmark some of the most commonly used functionals using quantum Monte Carlo. By considering several measures of functional accuracy, we conclude that the van der Waals and hybrid functionals significantly outperform local density approximation and Perdew-Burke-Ernzerhof. We support these conclusions by analyzing the impact of functional choice on structural optimization in the molecular solid, and on the location of the liquid-liquid phase transition.

  3. Non-isotropic noise correlation in PET data reconstructed by FBP but not by OSEM demonstrated using auto-correlation function.

    PubMed

    Razifar, Pasha; Lubberink, Mark; Schneider, Harald; Långström, Bengt; Bengtsson, Ewert; Bergström, Mats

    2005-05-13

    BACKGROUND: Positron emission tomography (PET) is a powerful imaging technique with the potential of obtaining functional or biochemical information by measuring distribution and kinetics of radiolabelled molecules in a biological system, both in vitro and in vivo. PET images can be used directly or after kinetic modelling to extract quantitative values of a desired physiological, biochemical or pharmacological entity. Because such images are generally noisy, it is essential to understand how noise affects the derived quantitative values. A pre-requisite for this understanding is that the properties of noise such as variance (magnitude) and texture (correlation) are known. METHODS: In this paper we explored the pattern of noise correlation in experimentally generated PET images, with emphasis on the angular dependence of correlation, using the autocorrelation function (ACF). Experimental PET data were acquired in 2D and 3D acquisition mode and reconstructed by analytical filtered back projection (FBP) and iterative ordered subsets expectation maximisation (OSEM) methods. The 3D data was rebinned to a 2D dataset using FOurier REbinning (FORE) followed by 2D reconstruction using either FBP or OSEM. In synthetic images we compared the ACF results with those from covariance matrix. The results were illustrated as 1D profiles and also visualized as 2D ACF images. RESULTS: We found that the autocorrelation images from PET data obtained after FBP were not fully rotationally symmetric or isotropic if the object deviated from a uniform cylindrical radioactivity distribution. In contrast, similar autocorrelation images obtained after OSEM reconstruction were isotropic even when the phantom was not circular. Simulations indicated that the noise autocorrelation is non-isotropic in images created by FBP when the level of noise in projections is angularly variable. Comparison between 1D cross profiles on autocorrelation images obtained by FBP reconstruction and covariance

  4. Correlation between the In Vitro Functionality of Stored Platelets and the Cytosolic Esterase-Induced Fluorescence Intensity with CMFDA.

    PubMed

    Wang, Jiexi; Yi, Xiaoyang; Liu, Minxia; Zhou, Qian; Ren, Suping; Wang, Yan; Yang, Chao; Zhou, Jianwei; Han, Ying

    2015-01-01

    It has been hypothesized that the cytosolic esterase-induced fluorescence intensity (CEIFI) from carboxy dimethyl fluorescein diacetate (CMFDA) in platelets may related to platelet functions. In the present study, we measured the change of CEIFI in platelets during storage, and examined the correlations of CEIFI with the in vitro functionality of stored platelets, including the ADP-induced aggregation activity, hypotonic shock response, expression of CD62P as well as platelet apoptosis. The CEIFI of fresh platelets, when tested at 10 μM CMFDA, the mean fluorescence intensity index (MFI) was 305.9 ± 49.9 (N = 80). After 1-day storage, it was 203.8 ± 34.4, the CEIFI of the stored platelets started to decline significantly, and reduced to 112.7 ±27.7 after 7-day storage. The change in CEIFI is highly correlated to all four functional parameters measured, with the correlation coefficients being 0.9813, 0.9848, -0.9945 and -0.9847 for the ADP-induced aggregation activity, hypotonic shock response (HSR), expression of CD62P and platelet apoptosis respectively. The above results show that the CEIFI measurement of platelets represents well the viability and functional state of in vitro stored platelets. This may be used as a convenient new method for quality evaluation for stored platelets if this result can be further validated by the following clinical trials.

  5. Cosmic shear E/B-mode estimation with binned correlation function data

    NASA Astrophysics Data System (ADS)

    Becker, Matthew R.

    2013-10-01

    In this work, I study the problem of E/B-mode separation with binned cosmic shear two-point correlation function data. Motivated by previous work on E/B-mode separation with shear two-point correlation functions and the practical considerations of data analysis, I consider E/B-mode estimators which are linear combinations of the binned shear correlation function data points. I argue that for most surveys, these estimators mix E and B modes and provide proof of this mixing for the simplest case. I, then, show how to define estimators which minimize this E/B-mode mixing and give practical recipes for their construction and use. Using these optimal estimators, I demonstrate that the vector space composed of the binned shear correlation function data points can be decomposed into approximately ambiguous-, E- and B-mode subspaces. With simple Fisher information estimates, I show that a non-trivial amount of information on typical cosmological parameters is contained in the ambiguous-mode subspace computed in this formalism. Next, I give two examples which apply these practical estimators and recipes to generic problems in cosmic shear data analysis: data compression and spatially locating B-mode contamination. In particular, by using wavelet-like estimators with the shear correlation functions directly, one can pinpoint B-mode contamination to specific angular scales and extract information on its shape. Finally, I discuss how these estimators can be used as part of blinded or closed-box cosmic shear data analyses in order to assess and find B-mode contamination at high precision while avoiding observer biases.

  6. A method for obtaining coefficients of compositional inverse generating functions

    NASA Astrophysics Data System (ADS)

    Kruchinin, Dmitry V.; Shablya, Yuriy V.; Kruchinin, Vladimir V.; Shelupanov, Alexander A.

    2016-06-01

    The aim of this paper is to show how to obtain expressions for coefficients of compositional inverse generating functions in explicit way. The method is based on the Lagrange inversion theorem and composita of generating functions. Also we give a method of obtaining expressions for coefficients of reciprocal generating functions and consider some examples.

  7. Functional correlates of the therapeutic and adverse effects evoked by thalamic stimulation for essential tremor

    PubMed Central

    Gibson, William S.; Jo, Hang Joon; Testini, Paola; Cho, Shinho; Felmlee, Joel P.; Welker, Kirk M.; Klassen, Bryan T.; Min, Hoon-Ki

    2016-01-01

    Deep brain stimulation is an established neurosurgical therapy for movement disorders including essential tremor and Parkinson’s disease. While typically highly effective, deep brain stimulation can sometimes yield suboptimal therapeutic benefit and can cause adverse effects. In this study, we tested the hypothesis that intraoperative functional magnetic resonance imaging could be used to detect deep brain stimulation-evoked changes in functional and effective connectivity that would correlate with the therapeutic and adverse effects of stimulation. Ten patients receiving deep brain stimulation of the ventralis intermedius thalamic nucleus for essential tremor underwent functional magnetic resonance imaging during stimulation applied at a series of stimulation localizations, followed by evaluation of deep brain stimulation-evoked therapeutic and adverse effects. Correlations between the therapeutic effectiveness of deep brain stimulation (3 months postoperatively) and deep brain stimulation-evoked changes in functional and effective connectivity were assessed using region of interest-based correlation analysis and dynamic causal modelling, respectively. Further, we investigated whether brain regions might exist in which activation resulting from deep brain stimulation might correlate with the presence of paraesthesias, the most common deep brain stimulation-evoked adverse effect. Thalamic deep brain stimulation resulted in activation within established nodes of the tremor circuit: sensorimotor cortex, thalamus, contralateral cerebellar cortex and deep cerebellar nuclei (FDR q < 0.05). Stimulation-evoked activation in all these regions of interest, as well as activation within the supplementary motor area, brainstem, and inferior frontal gyrus, exhibited significant correlations with the long-term therapeutic effectiveness of deep brain stimulation (P < 0.05), with the strongest correlation (P < 0.001) observed within the contralateral cerebellum. Dynamic causal

  8. [A method for redshift determination of quasars based on cross correlation].

    PubMed

    Liu, Rong; Duan, Fu-qing; Luo, A-li

    2005-07-01

    This paper presents a novel method for redshift determination of quasars. Firstly, a group of redshifts were determined using the emission line info extracted from the observed spectrum; Secondly, the template was redshifted according to the candidates, and the correlation between the observed spectrum and the redshifted template was measured. Finally, the redshift candidate corresponding to the highest correlation was chosen as the redshift. Compared with the existing methods based on spectral line matching, the proposed method has a lower dependence on the quality of spectral line extraction. Experiments show that this method is robust and superior to the methods based on spectral linematching.

  9. Excitation spectra and correlation functions of quantum Su-Schrieffer-Heeger models

    NASA Astrophysics Data System (ADS)

    Weber, Manuel; Assaad, Fakher F.; Hohenadler, Martin

    2015-06-01

    We study one-dimensional Su-Schrieffer-Heeger (SSH) models with quantum phonons using a continuous-time quantum Monte Carlo method. Within statistical errors, we obtain identical results for the SSH model with acoustic phonons, and a related model with a coupling to an optical bond phonon mode. Based on this agreement, we first study the Peierls metal-insulator transition of the spinless SSH model, and relate it to the Kosterlitz-Thouless transition of a spinless Luttinger liquid. In the Peierls phase, the spectral functions reveal the single-particle and charge gap, and a central peak related to long-range order. For the spinful SSH model, which has a dimerized ground state for any nonzero coupling, we reveal a symmetry-related degeneracy of spin and charge excitations, and the expected spin and charge gaps as well as a central peak. Finally, we study the SSH-U V model with electron-phonon and electron-electron interaction. We observe a Mott phase with critical spin and bond correlations at weak electron-phonon coupling, and a Peierls phase with gapped spin excitations at strong coupling. We relate our findings to the extended Hubbard model, and discuss the physical origin of the agreement between optical and acoustic phonons.

  10. Iterative Monte Carlo with bead-adapted sampling for complex-time correlation functions.

    PubMed

    Jadhao, Vikram; Makri, Nancy

    2010-03-14

    In a recent communication [V. Jadhao and N. Makri, J. Chem. Phys. 129, 161102 (2008)], we introduced an iterative Monte Carlo (IMC) path integral methodology for calculating complex-time correlation functions. This method constitutes a stepwise evaluation of the path integral on a grid selected by a Monte Carlo procedure, circumventing the exponential growth of statistical error with increasing propagation time, while realizing the advantageous scaling of importance sampling in the grid selection and integral evaluation. In the present paper, we present an improved formulation of IMC, which is based on a bead-adapted sampling procedure; thus leading to grid point distributions that closely resemble the absolute value of the integrand at each iteration. We show that the statistical error of IMC does not grow upon repeated iteration, in sharp contrast to the performance of the conventional path integral approach which leads to exponential increase in statistical uncertainty. Numerical results on systems with up to 13 degrees of freedom and propagation up to 30 times the "thermal" time variant Planck's over 2pibeta/2 illustrate these features.

  11. Iterative Monte Carlo with bead-adapted sampling for complex-time correlation functions

    NASA Astrophysics Data System (ADS)

    Jadhao, Vikram; Makri, Nancy

    2010-03-01

    In a recent communication [V. Jadhao and N. Makri, J. Chem. Phys. 129, 161102 (2008)], we introduced an iterative Monte Carlo (IMC) path integral methodology for calculating complex-time correlation functions. This method constitutes a stepwise evaluation of the path integral on a grid selected by a Monte Carlo procedure, circumventing the exponential growth of statistical error with increasing propagation time, while realizing the advantageous scaling of importance sampling in the grid selection and integral evaluation. In the present paper, we present an improved formulation of IMC, which is based on a bead-adapted sampling procedure; thus leading to grid point distributions that closely resemble the absolute value of the integrand at each iteration. We show that the statistical error of IMC does not grow upon repeated iteration, in sharp contrast to the performance of the conventional path integral approach which leads to exponential increase in statistical uncertainty. Numerical results on systems with up to 13 degrees of freedom and propagation up to 30 times the "thermal" time ℏβ /2 illustrate these features.

  12. Communication: Two-determinant mixing with a strong-correlation density functional.

    PubMed

    Becke, Axel D

    2013-07-14

    In recent papers [A. D. Becke, J. Chem. Phys. 138, 074109 (2013); ibid. 138, 161101 (2013)], a density functional for strong correlations in quantum chemistry was introduced. The functional is designed to capture molecular dissociation limits using symmetry-restricted orbitals. Here we demonstrate that the functional describes, with good accuracy, two-determinant multi-reference states. The examples of this work involve 50∕50 mixing of symmetry-equivalent Slater determinants at avoided crossings. We employ exactly-computed exchange and fractional spin-orbital occupancies. The connection with dissociated systems and single-determinant reference states is explained.

  13. Generalized correlation functions for conductance fluctuations and the mesoscopic spin Hall effect

    NASA Astrophysics Data System (ADS)

    Ramos, J. G. G. S.; Barbosa, A. L. R.; Bazeia, D.; Hussein, M. S.; Lewenkopf, C. H.

    2012-12-01

    We study the spin Hall conductance fluctuations in ballistic mesoscopic systems. We obtain universal expressions for the spin and charge current fluctuations, cast in terms of current-current autocorrelation functions. We show that the latter are conveniently parametrized as deformed Lorentzian shape lines, functions of an external applied magnetic field and the Fermi energy. We find that the charge current fluctuations show quite unique statistical features at the symplectic-unitary crossover regime. Our findings are based on an evaluation of the generalized transmission coefficients correlation functions within the stub model and are amenable to experimental test.

  14. Functional Network Development During the First Year: Relative Sequence and Socioeconomic Correlations.

    PubMed

    Gao, Wei; Alcauter, Sarael; Elton, Amanda; Hernandez-Castillo, Carlos R; Smith, J Keith; Ramirez, Juanita; Lin, Weili

    2015-09-01

    The first postnatal year is characterized by the most dramatic functional network development of the human lifespan. Yet, the relative sequence of the maturation of different networks and the impact of socioeconomic status (SES) on their development during this critical period remains poorly characterized. Leveraging a large, normally developing infant sample with multiple longitudinal resting-state functional magnetic resonance imaging scans during the first year (N = 65, scanned every 3 months), we aimed to delineate the relative maturation sequence of 9 key brain functional networks and examine their SES correlations. Our results revealed a maturation sequence from primary sensorimotor/auditory to visual to attention/default-mode, and finally to executive control networks. Network-specific critical growth periods were also identified. Finally, marginally significant positive SES-brain correlations were observed at 6 months of age for both the sensorimotor and default-mode networks, indicating interesting SES effects on functional brain maturation. To the best of our knowledge, this is the first study delineating detailed longitudinal growth trajectories of all major functional networks during the first year of life and their SES correlations. Insights from this study not only improve our understanding of early brain development, but may also inform the critical periods for SES expression during infancy.

  15. Cognitive, neurophysiological, and functional correlates of proverb interpretation abnormalities in schizophrenia.

    PubMed

    Kiang, Michael; Light, Gregory A; Prugh, Jocelyn; Coulson, Seana; Braff, David L; Kutas, Marta

    2007-07-01

    A hallmark of schizophrenia is impaired proverb interpretation, which could be due to: (1) aberrant activation of disorganized semantic associations, or (2) working memory (WM) deficits. We assessed 18 schizophrenia patients and 18 normal control participants on proverb interpretation, and evaluated these two hypotheses by examining within patients the correlations of proverb interpretation with disorganized symptoms and auditory WM, respectively. Secondarily, we also explored the relationships between proverb interpretation and a spectrum of cognitive functions including auditory sensory-memory encoding (as indexed by the mismatch negativity (MMN) event-related brain potential (ERP)); executive function; and social/occupational function. As expected, schizophrenia patients produced less accurate and less abstract descriptions of proverbs than did controls. These proverb interpretation difficulties in patients were not significantly correlated with disorganization or other symptom factors, but were significantly correlated (p < .05) with WM impairment, as well as with impairments in sensory-memory encoding, executive function, and social/occupational function. These results offer no support for disorganized associations in abnormal proverb interpretation in schizophrenia, but implicate WM deficits, perhaps as a part of a syndrome related to generalized frontal cortical dysfunction. PMID:17521483

  16. Analysis of Vibration and Noise of Construction Machinery Based on Ensemble Empirical Mode Decomposition and Spectral Correlation Analysis Method

    NASA Astrophysics Data System (ADS)

    Chen, Yuebiao; Zhou, Yiqi; Yu, Gang; Lu, Dan

    In order to analyze the effect of engine vibration on cab noise of construction machinery in multi-frequency bands, a new method based on ensemble empirical mode decomposition (EEMD) and spectral correlation analysis is proposed. Firstly, the intrinsic mode functions (IMFs) of vibration and noise signals were obtained by EEMD method, and then the IMFs which have the same frequency bands were selected. Secondly, we calculated the spectral correlation coefficients between the selected IMFs, getting the main frequency bands in which engine vibration has significant impact on cab noise. Thirdly, the dominated frequencies were picked out and analyzed by spectral analysis method. The study result shows that the main frequency bands and dominated frequencies in which engine vibration have serious impact on cab noise can be identified effectively by the proposed method, which provides effective guidance to noise reduction of construction machinery.

  17. Time domain averaging and correlation-based improved spectrum sensing method for cognitive radio

    NASA Astrophysics Data System (ADS)

    Li, Shenghong; Bi, Guoan

    2014-12-01

    Based on the combination of time domain averaging and correlation, we propose an effective time domain averaging and correlation-based spectrum sensing (TDA-C-SS) method used in very low signal-to-noise ratio (SNR) environments. With the assumption that the received signals from the primary users are deterministic, the proposed TDA-C-SS method processes the received samples by a time averaging operation to improve the SNR. Correlation operation is then performed with a correlation matrix to determine the existence of the primary signal in the received samples. The TDA-C-SS method does not need any prior information on the received samples and the associated noise power to achieve improved sensing performance. Simulation results are presented to show the effectiveness of the proposed TDA-C-SS method.

  18. Functional continuous Runge-Kutta methods for special systems

    NASA Astrophysics Data System (ADS)

    Eremin, A. S.; Olemskoy, I. V.

    2016-06-01

    We consider here numerical methods for systems of retarded functional differential equations of two equations in which the right-hand sides are cross-dependent of the unknown functions, i.e. the derivatives of unknowns don't depend on the same unknowns. It is shown that using the special structure of the system one can construct functional continuous methods of Runge-Kutta type with fewer stages than it is necessary in case of general Runge-Kutta functional continuous methods. Order conditions and example methods of orders three and four are presented. Test problems are solved, demonstrating the declared convergence order of the new methods.

  19. The Correlation of Routine Tear Function Tests and Conjunctival Impression Cytology in Dry Eye Syndrome

    PubMed Central

    Kumar, Prachi; Kumar, Manoj; Ranjan, Somesh; Kumar, Manjushri; Verma, Pratima

    2014-01-01

    Purpose To establish the strength of the association between routine tear function tests and conjunctival impression cytology (CIC) and to determine whether they simulate the morphological and cytological changes that occur on the ocular surface in dry eye. What are the sensitivity, specificity and positive predictive values of these tests when CIC is considered the gold standard? Methods The tear film profile included tear film break up time (TBUT), Schirmer's-1, Rose Bengal scores (RBS), and impression cytology. CIC samples were obtained from the inferior bulbar conjunctiva and stained with periodic acid-Schiff and counter stained with hematoxylin and eosin. Results The mean Schirmer's value was 11.66 ± 5.90 in patients and 17.17 ± 2.97 in controls (p < 0.001). The mean TBUT in participants was 8.88 ± 3.54 and 13.53 ± 2.12 in controls (p < 0.001). Patients had a mean goblet cell density (GCD) of 490 ± 213, while the value for controls was 1,462 ± 661 (p < 0.001). Abnormal CIC was observed in 46.7% cases of dry eye and in 32.8% of controls. The correlation coefficient (L) for Schirmer's was 0.2 and 0.24 for participants and controls, respectively, while TBUT values were 0.26 and 0.38, RBS were 0.5 and 0.5, and GCD was 0.8 and 0.6 in cases and controls, respectively. Conclusions GCD, RBS, and TBUT were better predictors of morphological and cytological changes in the conjunctiva than Schirmer's in dry eye syndrome. The sensitivity of tear function tests in diagnosing dry eye was TBUT > Schirmer's > RBS, and the specificity was Schirmer's > TBUT > RBS in decreasing order when CIC was considered the gold standard. PMID:24688254

  20. Equivalence between Step Selection Functions and Biased Correlated Random Walks for Statistical Inference on Animal Movement

    PubMed Central

    Duchesne, Thierry; Fortin, Daniel; Rivest, Louis-Paul

    2015-01-01

    Animal movement has a fundamental impact on population and community structure and dynamics. Biased correlated random walks (BCRW) and step selection functions (SSF) are commonly used to study movements. Because no studies have contrasted the parameters and the statistical properties of their estimators for models constructed under these two Lagrangian approaches, it remains unclear whether or not they allow for similar inference. First, we used the Weak Law of Large Numbers to demonstrate that the log-likelihood function for estimating the parameters of BCRW models can be approximated by the log-likelihood of SSFs. Second, we illustrated the link between the two approaches by fitting BCRW with maximum likelihood and with SSF to simulated movement data in virtual environments and to the trajectory of bison (Bison bison L.) trails in natural landscapes. Using simulated and empirical data, we found that the parameters of a BCRW estimated directly from maximum likelihood and by fitting an SSF were remarkably similar. Movement analysis is increasingly used as a tool for understanding the influence of landscape properties on animal distribution. In the rapidly developing field of movement ecology, management and conservation biologists must decide which method they should implement to accurately assess the determinants of animal movement. We showed that BCRW and SSF can provide similar insights into the environmental features influencing animal movements. Both techniques have advantages. BCRW has already been extended to allow for multi-state modeling. Unlike BCRW, however, SSF can be estimated using most statistical packages, it can simultaneously evaluate habitat selection and movement biases, and can easily integrate a large number of movement taxes at multiple scales. SSF thus offers a simple, yet effective, statistical technique to identify movement taxis. PMID:25898019