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Sample records for 4-point correlation functions

  1. Report on 3- and 4-Point Correlation Statistics in COBE DMR Anisotropy Maps

    NASA Technical Reports Server (NTRS)

    Hinshaw, Gary; Gorski, Krzystof M.; Bennett, Charles L.; Banday, Anthony J.

    1996-01-01

    As part of the work performed under this contract, we have computed the 3- and 4-point correlation functions of the COBE-DMR 2-year and 4-year anisotropy maps. The results of our work showed that the 3-point correlation function is consistent with zero and that the 4-point function is not a very sensitive probe of non-Gaussian behavior in the COBE-DMR data.

  2. Report on 3 and 4-point correlation statistics in the COBE DMR anisotrophy maps

    NASA Technical Reports Server (NTRS)

    Hinshaw, Gary (Principal Investigator); Gorski, Krzystof M.; Banday, Anthony J.; Bennett, Charles L.

    1996-01-01

    As part of the work performed under NASA contract # NAS5-32648, we have computed the 3-point and 4-point correlation functions of the COBE-DNIR 2-year and 4-year anisotropy maps. The motivation for this study was to search for evidence of non-Gaussian statistical fluctuations in the temperature maps: skewness or asymmetry in the case of the 3-point function, kurtosis in the case of the 4-point function. Such behavior would have very significant implications for our understanding of the processes of galaxy formation, because our current models of galaxy formation predict that non-Gaussian features should not be present in the DMR maps. The results of our work showed that the 3-point correlation function is consistent with zero and that the 4-point function is not a very sensitive probe of non-Gaussian behavior in the COBE-DMR data. Our computation and analysis of 3-point correlations in the 2-year DMR maps was published in the Astrophysical Journal Letters, volume 446, page L67, 1995. Our computation and analysis of 3-point correlations in the 4-year DMR maps will be published, together with some additional tests, in the June 10, 1996 issue of the Astrophysical Journal Letters. Copies of both of these papers are attached as an appendix to this report.

  3. 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.

  4. 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.

  5. Correlation functions in stochastic inflation

    NASA Astrophysics Data System (ADS)

    Vennin, Vincent; Starobinsky, Alexei A.

    2015-09-01

    Combining the stochastic and formalisms, we derive non-perturbative analytical expressions for all correlation functions of scalar perturbations in single-field, slow-roll inflation. The standard, classical formulas are recovered as saddle-point limits of the full results. This yields a classicality criterion that shows that stochastic effects are small only if the potential is sub-Planckian and not too flat. The saddle-point approximation also provides an expansion scheme for calculating stochastic corrections to observable quantities perturbatively in this regime. In the opposite regime, we show that a strong suppression in the power spectrum is generically obtained, and we comment on the physical implications of this effect.

  6. 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…

  7. 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.

  8. Ways to improve your correlation functions

    NASA Technical Reports Server (NTRS)

    Hamilton, A. J. S.

    1993-01-01

    This paper describes a number of ways to improve on the standard method for measuring the two-point correlation function of large scale structure in the Universe. Issues addressed are: (1) the problem of the mean density, and how to solve it; (2) how to estimate the uncertainty in a measured correlation function; (3) minimum variance pair weighting; (4) unbiased estimation of the selection function when magnitudes are discrete; and (5) analytic computation of angular integrals in background pair counts.

  9. Correlation function studies for snow and ice

    NASA Technical Reports Server (NTRS)

    Vallese, F.; Kong, J. A.

    1981-01-01

    The random medium model is used to characterize snow and ice fields in the interpretation of active and passive microwave remote sensing data. A correlation function is used to describe the random permittivity fluctuations with the associated mean and variance and correlation lengths; and several samples are investigated to determine typical correlation functions for snow and ice. It is shown that correlation functions are extracted directly from appropriate ground truth data, and an exponential correlation function is observed for snow and ice with lengths corresponding to the actual size of ice particles or air bubbles. Thus, given that a medium has spatially stationary statistics and a small medium, the random medium model can interpret remote sensing data where theoretical parameters correspond to actual physical parameters of the terrain.

  10. Bootstrapping correlation functions in {N}=4 SYM

    NASA Astrophysics Data System (ADS)

    Chicherin, Dmitry; Doobary, Reza; Eden, Burkhard; Heslop, Paul; Korchemsky, Gregory P.; Sokatchev, Emery

    2016-03-01

    We describe a new approach to computing the chiral part of correlation functions of stress-tensor supermultiplets in {N}=4 SYM that relies on symmetries, analytic properties and the structure of the OPE only. We demonstrate that the correlation functions are given by a linear combination of chiral {N}=4 superconformal invariants accompanied by coefficient functions depending on the space-time coordinates only. We present the explicit construction of these invariants and show that the six-point correlation function is fixed in the Born approximation up to four constant coefficients by its symmetries. In addition, the known asymptotic structure of the correlation function in the light-like limit fixes unambiguously these coefficients up to an overall normalization. We demonstrate that the same approach can be applied to obtain a representation for the six-point NMHV amplitude that is free from any auxiliary gauge fixing parameters, does not involve spurious poles and manifests half of the dual superconformal symmetry.

  11. Correlation functions for extended mass galaxy clusters

    NASA Astrophysics Data System (ADS)

    Iqbal, Naseer; Ahmad, Naveel; Hamid, Mubashir; Masood, Tabasum

    2012-07-01

    The phenomenon of clustering of galaxies on the basis of correlation functions in an expanding Universe is studied by using equation of state, taking gravitational interaction between galaxies of extended nature into consideration. The partial differential equation for the extended mass structures of a two-point correlation function developed earlier by Iqbal, Ahmad & Khan is studied on the basis of assigned boundary conditions. The solution for the correlation function for extended structures satisfies the basic boundary conditions, which seem to be sufficient for understanding the phenomena, and provides a new insight into the gravitational clustering problem for extended mass structures.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Long-time limit of correlation functions

    NASA Astrophysics Data System (ADS)

    Franosch, Thomas

    2014-08-01

    Auto-correlation functions in an equilibrium stochastic process are well-characterized by Bochner's theorem as Fourier transforms of a finite symmetric Borel measure. The existence of a long-time limit of these correlation functions depends on the spectral properties of the measure. Here we provide conditions applicable to a wide class of dynamical theories guaranteeing the existence of the long-time limit. We discuss the implications in the context of the mode-coupling theory of the glass transition where a non-trivial long-time limit signals an idealized glass state.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. Density gradient expansion of correlation functions

    NASA Astrophysics Data System (ADS)

    van Leeuwen, Robert

    2013-04-01

    We present a general scheme based on nonlinear response theory to calculate the expansion of correlation functions such as the pair-correlation function or the exchange-correlation hole of an inhomogeneous many-particle system in terms of density derivatives of arbitrary order. We further derive a consistency condition that is necessary for the existence of the gradient expansion. This condition is used to carry out an infinite summation of terms involving response functions up to infinite order from which it follows that the coefficient functions of the gradient expansion can be expressed in terms of the local density profile rather than the background density around which the expansion is carried out. We apply the method to the calculation of the gradient expansion of the one-particle density matrix to second order in the density gradients and recover in an alternative manner the result of Gross and Dreizler [Gross and Dreizler, Z. Phys. AZPAADB0340-219310.1007/BF01413038 302, 103 (1981)], which was derived using the Kirzhnits method. The nonlinear response method is more general and avoids the turning point problem of the Kirzhnits expansion. We further give a description of the exchange hole in momentum space and confirm the wave vector analysis of Langreth and Perdew [Langreth and Perdew, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.21.5469 21, 5469 (1980)] for this case. This is used to derive that the second-order gradient expansion of the system averaged exchange hole satisfies the hole sum rule and to calculate the gradient coefficient of the exchange energy without the need to regularize divergent integrals.

  7. Significance of Input Correlations in Striatal Function

    PubMed Central

    Yim, Man Yi; Aertsen, Ad; Kumar, Arvind

    2011-01-01

    The striatum is the main input station of the basal ganglia and is strongly associated with motor and cognitive functions. Anatomical evidence suggests that individual striatal neurons are unlikely to share their inputs from the cortex. Using a biologically realistic large-scale network model of striatum and cortico-striatal projections, we provide a functional interpretation of the special anatomical structure of these projections. Specifically, we show that weak pairwise correlation within the pool of inputs to individual striatal neurons enhances the saliency of signal representation in the striatum. By contrast, correlations among the input pools of different striatal neurons render the signal representation less distinct from background activity. We suggest that for the network architecture of the striatum, there is a preferred cortico-striatal input configuration for optimal signal representation. It is further enhanced by the low-rate asynchronous background activity in striatum, supported by the balance between feedforward and feedback inhibitions in the striatal network. Thus, an appropriate combination of rates and correlations in the striatal input sets the stage for action selection presumably implemented in the basal ganglia. PMID:22125480

  8. 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

  9. Effective theory of squeezed correlation functions

    NASA Astrophysics Data System (ADS)

    Mirbabayi, Mehrdad; Simonović, Marko

    2016-03-01

    Various inflationary scenarios can often be distinguished from one another by looking at the squeezed limit behavior of correlation functions. Therefore, it is useful to have a framework designed to study this limit in a more systematic and efficient way. We propose using an expansion in terms of weakly coupled super-horizon degrees of freedom, which is argued to generically exist in a near de Sitter space-time. The modes have a simple factorized form which leads to factorization of the squeezed-limit correlation functions with power-law behavior in klong/kshort. This approach reproduces the known results in single-, quasi-single-, and multi-field inflationary models. However, it is applicable even if, unlike the above examples, the additional degrees of freedom are not weakly coupled at sub-horizon scales. Stronger results are derived in two-field (or sufficiently symmetric multi-field) inflationary models. We discuss the observability of the non-Gaussian 3-point function in the large-scale structure surveys, and argue that the squeezed limit behavior has a higher detectability chance than equilateral behavior when it scales as (klong/kshort)Δ with Δ < 1—where local non-Gaussianity corresponds to Δ = 0.

  10. 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.

  11. Functional complexity in correlated electron matter

    NASA Astrophysics Data System (ADS)

    Bishop, A. R.

    2002-05-01

    We outline several themes which have now emerged in both organic and inorganic correlated electronic materials: the prevalence of intrinsic complexity realized in the coexistence or competition among broken-symmetry ground states; the origin of landscapes in coupled spin, charge and lattice (orbital) degrees-of-freedom; the importance of co-existing short- and long-range forces; and the importance of multiscale complexity for key material properties, including hierarchies of functional, connected scales, coupled intrinsic inhomogeneities in spin, charge and lattice, consequent intrinsic multiple timescales, and the importance of multifunctional “electro-elastic” materials.

  12. Nuclear correlation functions in lattice QCD

    SciTech Connect

    Detmold, William; Orginos, Konstantinos

    2013-06-01

    We consider the problem of calculating the large number of Wick contractions necessary to compute states with the quantum numbers of many baryons in lattice QCD. We consider a constructive approach and a determinant-based approach and show that these methods allow the required contractions to be performed for certain choices of interpolating operators. Examples of correlation functions computed using these techniques are shown for the quantum numbers of the light nuclei, $^4$He, $^8$Be, $^{12}$C, $^{16}$O and $^{28}$Si.

  13. MESON CORRELATION FUNCTIONS AT HIGH TEMPERATURES.

    SciTech Connect

    WISSEL, S.; DATTA, S.; KARSCH, F.; LAERMANN, E.; SHCHEREDIN, S.

    2005-07-25

    We present preliminary results for the correlation- and spectral functions of different meson channels on the lattice. The main focus lies on gaining control over cut-off as well as on the finite-volume effects. Extrapolations of screening masses above the deconfining temperature are guided by the result of the free (T = {infinity}) case on the lattice and in the continuum. We study the quenched non-perturbatively improved Wilson-clover fermion as well as the hypercube fermion action which might show less cut-off effects.

  14. 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.

  15. Detecting correlations among functional-sequence motifs.

    PubMed

    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. PMID:23005179

  16. Dynamic functional network connectivity using distance correlation

    NASA Astrophysics Data System (ADS)

    Rudas, Jorge; Guaje, Javier; Demertzi, Athena; Heine, Lizette; Tshibanda, Luaba; Soddu, Andrea; Laureys, Steven; Gómez, Francisco

    2015-01-01

    Investigations about the intrinsic brain organization in resting-state are critical for the understanding of healthy, pathological and pharmacological cerebral states. Recent studies on fMRI suggest that resting state activity is organized on large scale networks of coordinated activity, in the so called, Resting State Networks (RSNs). The assessment of the interactions among these functional networks plays an important role for the understanding of different brain pathologies. Current methods to quantify these interactions commonly assume that the underlying coordination mechanisms are stationary and linear through the whole recording of the resting state phenomena. Nevertheless, recent evidence suggests that rather than stationary, these mechanisms may exhibit a rich set of time-varying repertoires. In addition, these approaches do not consider possible non-linear relationships maybe linked to feed-back communication mechanisms between RSNs. In this work, we introduce a novel approach for dynamical functional network connectivity for functional magnetic resonance imaging (fMRI) resting activity, which accounts for non-linear dynamic relationships between RSNs. The proposed method is based on a windowed distance correlations computed on resting state time-courses extracted at single subject level. We showed that this strategy is complementary to the current approaches for dynamic functional connectivity and will help to enhance the discrimination capacity of patients with disorder of consciousness.

  17. Correlation functions with fusion-channel multiplicity in {mathcal{W}}_3 Toda field theory

    NASA Astrophysics Data System (ADS)

    Belavin, Vladimir; Estienne, Benoit; Foda, Omar; Santachiara, Raoul

    2016-06-01

    Current studies of {mathcal{W}}_N Toda field theory focus on correlation functions such that the {mathcal{W}}_N highest-weight representations in the fusion channels are multiplicity-free. In this work, we study {mathcal{W}}_3 Toda 4-point functions with multiplicity in the fusion channel. The conformal blocks of these 4-point functions involve matrix elements of a fully-degenerate primary field with a highest-weight in the adjoint representation of mathfrak{s}{mathfrak{l}}_3 , and a fully-degenerate primary field with a highest-weight in the fundamental representation of mathfrak{s}{mathfrak{l}}_3 . We show that, when the fusion rules do not involve multiplicities, the matrix elements of the fully-degenerate adjoint field, between two arbitrary descendant states, can be computed explicitly, on equal footing with the matrix elements of the semi-degenerate fundamental field. Using null-state conditions, we obtain a fourth-order Fuchsian differential equation for the conformal blocks. Using Okubo theory, we show that, due to the presence of multiplicities, this differential equation belongs to a class of Fuchsian equations that is different from those that have appeared so far in {mathcal{W}}_N theories. We solve this equation, compute its monodromy group, and construct the monodromy-invariant correlation functions. This computation shows in detail how the ambiguities that are caused by the presence of multiplicities are fixed by requiring monodromy-invariance.

  18. Structure-function correlations in tyrosinases.

    PubMed

    Kanteev, Margarita; Goldfeder, Mor; Fishman, Ayelet

    2015-09-01

    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

  19. 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

  20. 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.

  1. Fairing geometric modeling based on 4-point interpolatory subdivision scheme

    NASA Astrophysics Data System (ADS)

    Luo, Xiaonan; Liu, Ning; Gao, Chengying

    2004-02-01

    A 4-point interpolatory subdivision scheme with a tension parameter is analyzed, and the local property of 4-point interpolatory subdivision scheme and a kind of G1-continuity sufficient condition between surfaces as well as between curves are discussed. An efficient method of generating natural boundary points of 4-point interpolatory curve is presented, as well as a surface modeling method with the entire fairing property by combining energy optimization with subdivision scheme. The method has been applied in modeling 3D virtual garment surface.

  2. Density Functional Model for Nondynamic and Strong Correlation.

    PubMed

    Kong, Jing; Proynov, Emil

    2016-01-12

    A single-term density functional model for the left-right nondynamic/strong electron correlation is presented based on single-determinant Kohn-Sham density functional theory. It is derived from modeling the adiabatic connection for kinetic correlation energy based on physical arguments, with the correlation potential energy based on the Becke'13 model ( Becke, A.D. J. Chem. Phys . 2013 , 138 , 074109 ). This functional satisfies some known scaling relationships for correlation functionals. The fractional spin error is further reduced substantially with a new density-functional correction. Preliminary tests with self-consistent-field implementation show that the model, with only three empirical parameters, recovers the majority of left-right nondynamic/strong correlation upon bond dissociation and performs reasonably well for atomization energies and singlet-triplet energy splittings. This study also demonstrates the feasibility of developing DFT functionals for nondynamic and strong correlation within the single-determinant KS scheme. PMID:26636190

  3. Total energy equation leading to exchange-correlation functional

    NASA Astrophysics Data System (ADS)

    Liu, Feng; Wang, Tzu-Chiang

    2015-05-01

    By solving the total energy equation, we obtain the formula of exchange-correlation functional for the first time. This functional is usually determined by fitting experimental data or the numerical results of models. In the uniform electron gas limit, our exchange-correlation functional can exactly reproduce the results of Perdew-Zunger parameterization from the jellium model. By making use of a particular solution, our exchange-correlation functional could take into account the case of non-uniform electron density, and its validity can be confirmed through comparisons of the band structure, equilibrium lattice constant, and bulk modulus of aluminum and silicon. The absence of mechanical prescriptions for the systematic improvement of exchange-correlation functional hinders further development of density-functional theory (DFT), and the formula of exchange-correlation functional given in this study might provide a new perspective to help DFT out of this awkward situation.

  4. The Eulerian time correlation function from direct simulation data

    NASA Astrophysics Data System (ADS)

    Rubinstein, Robert; He, Guowei

    2001-11-01

    The Eulerian time correlation function in homogeneous isotropic turbulence is obtained from direct numerical simulation. We develop curvefits of this function using a producure suggested by Boon and Yip (Molecular Hydrodynamics), which develops a continued fraction expansion of the Laplace transform of the time correlation function. Results of different two-pole expressions are compared with the results of the simulations. Good agreement using one such expression is obtained. The curvefit is developed both for the DNS dataset and for the time correlation function computed from LES. The dynamic meaning of the time correlation function in turbulence is compared to the role of the time correlation function in molecular hydrodynamics, where it is associated with the hydrodynamic modes of the fluid.

  5. 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.

  6. Functional brain correlates of heterosexual paedophilia.

    PubMed

    Schiffer, Boris; Paul, Thomas; Gizewski, Elke; Forsting, Michael; Leygraf, Norbert; Schedlowski, Manfred; Kruger, Tillmann H C

    2008-05-15

    Although the neuronal mechanisms underlying normal sexual motivation and function have recently been examined, the alterations in brain function in deviant sexual behaviours such as paedophilia are largely unknown. The objective of this study was to identify paedophilia-specific functional networks implicated in sexual arousal. Therefore a consecutive sample of eight paedophile forensic inpatients, exclusively attracted to females, and 12 healthy age-matched heterosexual control participants from a comparable socioeconomic stratum participated in a visual sexual stimulation procedure during functional magnetic resonance imaging. The visual stimuli were sexually stimulating photographs and emotionally neutral photographs. Immediately after the imaging session subjective responses pertaining to sexual desire were recorded. Principally, the brain response of heterosexual paedophiles to heteropaedophilic stimuli was comparable to that of heterosexual males to heterosexual stimuli, including different limbic structures (amygdala, cingulate gyrus, and hippocampus), the substantia nigra, caudate nucleus, as well as the anterior cingulate cortex, different thalamic nuclei, and associative cortices. However, responses to visual sexual stimulation were found in the orbitofrontal cortex in healthy heterosexual males, but not in paedophiles, in whom abnormal activity in the dorsolateral prefrontal cortex was observed. Thus, in line with clinical observations and neuropsychological studies, it seems that central processing of sexual stimuli in heterosexual paedophiles may be altered by a disturbance in the prefrontal networks, which, as has already been hypothesized, may be associated with stimulus-controlled behaviours, such as sexual compulsive behaviours. Moreover, these findings may suggest a dysfunction (in the functional and effective connectivity) at the cognitive stage of sexual arousal processing. PMID:18358744

  7. 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.

  8. Off-forward quark-quark correlation function

    SciTech Connect

    Casanova, Sabrina

    2006-09-01

    The properties of the nonforward quark-quark correlation function are examined. We derive constraints on the correlation function from the transformation properties of the fundamental fields of QCD occurring in its definition. We further develop a method to construct an Ansatz for this correlator. We present the complete leading order set of generalized parton distributions in terms of the amplitudes of the Ansatz. Finally we conclude that the number of independent generalized parton helicity changing distributions is four.

  9. 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.

  10. 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.

  11. 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....

  12. 42 CFR 476.86 - Correlation of Title XI functions with Title XVIII functions.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 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....

  13. Understanding volatility correlation behavior with a magnitude cross-correlation function

    NASA Astrophysics Data System (ADS)

    Jun, Woo Cheol; Oh, Gabjin; Kim, Seunghwan

    2006-06-01

    We propose an approach for analyzing the basic relation between correlation properties of the original signal and its magnitude fluctuations by decomposing the original signal into its positive and negative fluctuation components. We use this relation to understand the following phenomenon found in many naturally occurring time series: the magnitude of the signal exhibits long-range correlation, whereas the original signal is short-range correlated. The applications of our approach to heart rate variability signals and high-frequency foreign exchange rates reveal that the difference between the correlation properties of the original signal and its magnitude fluctuations is induced by the time organization structure of the correlation function between the magnitude fluctuations of positive and negative components. We show that this correlation function can be described well by a stretched-exponential function and is related to the nonlinearity and the multifractal structure of the signals.

  14. 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.

  15. Dental microwear. Morphological, functional and phylogenetic correlations.

    PubMed

    Villa, G; Giacobini, G

    1998-01-01

    Dental wear, at first considered a pathological condition, is now regarded as a physiological mechanism of teeth adaptation to continuous masticatory stresses. Excessive wear is limited by characteristic structural adaptations of dental hard tissues showing a phylogenetic trend and specialisation. Enamel is the main tissue subjected to wear; however, advanced enamel wear exposes increasingly large areas of dentine. Enamel hardness and anisotropy are the major factors contrasting wear and microfractures. Anisotropy is mainly related to the different orientation of prism bundles (and of hydroxiapatite cristals). Enamel wear development is also related to differences in microhardness, density, mineral composition and protein distribution. Masticatory loads distributed along the enamel-dentine junction uniformly disperse in the underlying dentine. In spite of its structural characteristics, dentine is relatively isotropic by the functional point of view. Even if its lower hardness opposes less efficaciously to wear, its biomechanical characteristics successfully contrast microfractures. The study of microwear (namely the microscopic analysis of worn dental surfaces) can be made both on original surfaces and on high definition silicone-resin replicas. Scanning electron microscope observations allow identification of surface damage (microtraces) produced by different physical and chemical agents. Microwear analysis may provide indications about alimentary and non alimentary habits, masticatory biomechanics and pathological situations (e.g., bruxism). PMID:9766174

  16. 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.

  17. 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

  18. athena: Tree code for second-order correlation functions

    NASA Astrophysics Data System (ADS)

    Kilbinger, Martin; Bonnett, Christopher; Coupon, Jean

    2014-02-01

    athena is a 2d-tree code that estimates second-order correlation functions from input galaxy catalogues. These include shear-shear correlations (cosmic shear), position-shear (galaxy-galaxy lensing) and position-position (spatial angular correlation). Written in C, it includes a power-spectrum estimator implemented in Python; this script also calculates the aperture-mass dispersion. A test data set is available.

  19. The correlation function for density perturbations in an expanding universe. IV - The evolution of the correlation function. [galaxy distribution

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1979-01-01

    The evolution of the two-point correlation function for the large-scale distribution of galaxies in an expanding universe is studied on the assumption that the perturbation densities lie in a Gaussian distribution centered on any given mass scale. The perturbations are evolved according to the Friedmann equation, and the correlation function for the resulting distribution of perturbations at the present epoch is calculated. It is found that: (1) the computed correlation function gives a satisfactory fit to the observed function in cosmological models with a density parameter (Omega) of approximately unity, provided that a certain free parameter is suitably adjusted; (2) the power-law slope in the nonlinear regime reflects the initial fluctuation spectrum, provided that the density profile of individual perturbations declines more rapidly than the -2.4 power of distance; and (3) both positive and negative contributions to the correlation function are predicted for cosmological models with Omega less than unity.

  20. Equilibrium time correlation functions and the dynamics of fluctuations

    SciTech Connect

    Luban, Marshall; Luscombe, James H.

    1999-12-01

    Equilibrium time correlation functions are of great importance because they probe the equilibrium dynamical response to external perturbations. We discuss the properties of time correlation functions for several systems that are simple enough to illustrate the calculational steps involved. The discussion underscores the need for avoiding language which misleadingly suggests that thermal equilibrium is associated with a quiescent or moribund state of the system. (c) 1999 American Association of Physics Teachers.

  1. 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.

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

    PubMed

    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)PRLTAO0031-900710.1103/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

  3. 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.

  4. Structure of correlation functions in single-field inflation

    NASA Astrophysics Data System (ADS)

    Shandera, Sarah

    2009-06-01

    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.

  5. Even-odd correlation functions on an optical lattice

    SciTech Connect

    Kapit, Eliot; Mueller, Erich

    2010-07-15

    We study how different many-body states appear in a quantum-gas microscope, such as the one developed at Harvard [Bakr et al., Nature 462, 74 (2009)], where the site-resolved parity of the atom number is imaged. We calculate the spatial correlations of the microscope images, corresponding to the correlation function of the parity of the number of atoms at each site. We produce analytic results for a number of well-known models: noninteracting bosons, the large-U Bose-Hubbard model, and noninteracting fermions. We find that these parity correlations tend to be less strong than density-density correlations, but they carry similar information.

  6. 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.

  7. Testing Group Differences in Brain Functional Connectivity: Using Correlations or Partial Correlations?

    PubMed Central

    Kim, Junghi; Wozniak, Jeffrey R.; Mueller, Bryon A.

    2015-01-01

    Abstract Resting-state functional magnetic resonance imaging allows one to study brain functional connectivity, partly motivated by evidence that patients with complex disorders, such as Alzheimer's disease, may have altered functional brain connectivity patterns as compared with healthy subjects. A functional connectivity network describes statistical associations of the neural activities among distinct and distant brain regions. Recently, there is a major interest in group-level functional network analysis; however, there is a relative lack of studies on statistical inference, such as significance testing for group comparisons. In particular, it is still debatable which statistic should be used to measure pairwise associations as the connectivity weights. Many functional connectivity studies have used either (full or marginal) correlations or partial correlations for pairwise associations. This article investigates the performance of using either correlations or partial correlations for testing group differences in brain connectivity, and how sparsity levels and topological structures of the connectivity would influence statistical power to detect group differences. Our results suggest that, in general, testing group differences in networks deviates from estimating networks. For example, high regularization in both covariance matrices and precision matrices may lead to higher statistical power; in particular, optimally selected regularization (e.g., by cross-validation or even at the true sparsity level) on the precision matrices with small estimation errors may have low power. Most importantly, and perhaps surprisingly, using either correlations or partial correlations may give very different testing results, depending on which of the covariance matrices and the precision matrices are sparse. Specifically, if the precision matrices are sparse, presumably and arguably a reasonable assumption, then using correlations often yields much higher powered and more

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. IMPROVING CORRELATION FUNCTION FITTING WITH RIDGE REGRESSION: APPLICATION TO CROSS-CORRELATION RECONSTRUCTION

    SciTech Connect

    Matthews, Daniel J.; Newman, Jeffrey A. E-mail: janewman@pitt.edu

    2012-02-01

    Cross-correlation techniques provide a promising avenue for calibrating photometric redshifts and determining redshift distributions using spectroscopy which is systematically incomplete (e.g., current deep spectroscopic surveys fail to obtain secure redshifts for 30%-50% or more of the galaxies targeted). In this paper, we improve on the redshift distribution reconstruction methods from our previous work by incorporating full covariance information into our correlation function fits. Correlation function measurements are strongly covariant between angular or spatial bins, and accounting for this in fitting can yield substantial reduction in errors. However, frequently the covariance matrices used in these calculations are determined from a relatively small set (dozens rather than hundreds) of subsamples or mock catalogs, resulting in noisy covariance matrices whose inversion is ill-conditioned and numerically unstable. We present here a method of conditioning the covariance matrix known as ridge regression which results in a more well behaved inversion than other techniques common in large-scale structure studies. We demonstrate that ridge regression significantly improves the determination of correlation function parameters. We then apply these improved techniques to the problem of reconstructing redshift distributions. By incorporating full covariance information, applying ridge regression, and changing the weighting of fields in obtaining average correlation functions, we obtain reductions in the mean redshift distribution reconstruction error of as much as {approx}40% compared to previous methods. We provide a description of POWERFIT, an IDL code for performing power-law fits to correlation functions with ridge regression conditioning that we are making publicly available.

  13. 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.

  14. 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.

  15. Long-time tails of correlation and memory functions

    NASA Astrophysics Data System (ADS)

    Sawada, Isao

    2002-11-01

    We review the generalized Langevin equation, which is a transformation and reformulation of equation of motion, from the two viewpoints: the projection operator method developed by Mori and the recurrence relations method developed by Lee. The fluctuating forces acting on the Bloch electrons’ current are clarified the strongly colored quantum fluctuations with the spontaneous interband transitions leading to a long-time tail of 1/ t for the envelope of the memory function. The velocity autocorrelation functions in the coupled harmonic oscillator on the Bethe lattice have a long-time tail of 1/t t. The oscillation and the form of decay found in correlation functions affect transport coefficients given by the integrated intensity up to infinity. We also study the force-force correlation functions often used as an approximation to the memory function.

  16. Prevalence and correlates of functional dependence among maintenance dialysis patients.

    PubMed

    Kavanagh, Niall T; Schiller, Brigitte; Saxena, Anjali B; Thomas, I-Chun; Kurella Tamura, Manjula

    2015-10-01

    Functional dependence is an important determinant of longevity and quality of life. The purpose of the current study was to determine the prevalence and correlates of functional dependence among patients with end-stage renal disease (ESRD) receiving maintenance dialysis. We enrolled 148 participants with ESRD from five clinics. Functional status, as measured by basic and instrumental activities of daily living (ADL, IADL), was ascertained by validated questionnaires. Functional dependence was defined as needing assistance in at least one of seven IADLs or at least one of four ADLs. Demographic characteristics, chronic health conditions, anthropometric measurements, and laboratories were assessed by a combination of self-report and chart review. Cognitive function was assessed with a neurocognitive battery, and depressive symptoms were assessed by questionnaire. Mean age of the sample was 56.2 ± 14.6 years. Eighty-seven participants (58.8%) demonstrated dependence in ADLs or IADLs, 70 (47.2%) exhibited IADL dependence alone, and 17 (11.5%) exhibited combined IADL and ADL dependence. In a multivariable-adjusted model, stroke, cognitive impairment, and higher systolic blood pressure were independent correlates of functional dependence. We found no significant association between demographic characteristics, chronic health conditions, depressive symptoms or laboratory measurements, and functional dependence. Impairment in executive function was more strongly associated with functional dependence than memory impairment. Functional dependence is common among ESRD patients and independently associated with stroke, systolic blood pressure, and executive function impairment. PMID:25731070

  17. 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.

  18. An Accurate Density Functional from Exchange-Correlation Hole

    NASA Astrophysics Data System (ADS)

    Tao, Jianmin; Mo, Yuxiang

    The exchange-correlation hole is most fundamentally important in the development and understanding of density functional theory (DFT). However, due to the nonlocal nature of the exchange-correlation hole, development of DFT from the underlying hole presents a great challenge, and the works along this direction are limited. Here I will discuss a novel nonempirical DFT based on a semilocal hole, which is obtained from the density matrix expansion. Extensive tests on molecules and solids show that this functional can achieve remarkable accuracy for wide-ranging properties in condensed matter physics and quantum chemistry. This work was supported by NSF under Grant No. CHE-1261918.

  19. Pade spectroscopy of structural correlation functions: Application to liquid gallium

    NASA Astrophysics Data System (ADS)

    Chtchelkatchev, N. M.; Klumov, B. A.; Ryltsev, R. E.; Khusnutdinoff, R. M.; Mokshin, A. V.

    2016-03-01

    We propose the new method of fluid structure investigation based on numerical analytic continuation of structural correlation functions with Pade approximants. The method particularly allows extracting hidden structural features of disordered condensed matter systems from experimental diffraction data. The method has been applied to investigate the local order of liquid gallium, which has a non-trivial structure in both the liquid and solid states. Processing the correlation functions obtained from molecular dynamic simulations, we show the method proposed reveals non-trivial structural features of liquid gallium such as the spectrum of length-scales and the existence of different types of local clusters in the liquid.

  20. Quarkonium correlators and spectral functions at zero and finite temperature

    SciTech Connect

    Jakovac, A.; Petreczky, P.; Petrov, K.; Velytsky, A.

    2007-01-01

    We study quarkonium correlators and spectral functions at zero and finite temperature using the anisotropic Fermilab lattice formulation with anisotropy {xi}=2 and 4. To control cut-off effects we use several different lattice spacings. The spectral functions were extracted from lattice correlators with maximum entropy method based on a new algorithm. We find evidence for the survival of 1S quarkonium states in the deconfined medium till relatively high temperatures as well as for dissolution of 1P quarkonium states right above the deconfinement temperature.

  1. A canonical correlation analysis of intelligence and executive functioning.

    PubMed

    Davis, Andrew S; Pierson, Eric E; Finch, W Holmes

    2011-01-01

    Executive functioning is one of the most researched and debated topics in neuropsychology. Although neuropsychologists routinely consider executive functioning and intelligence in their assessment process, more information is needed regarding the relationship between these constructs. This study reports the results of a canonical correlation study between the most widely used measure of adult intelligence, the Wechsler Adult Intelligence Scale, 3rd edition (WAIS-III; Wechsler, 1997), and the Delis-Kaplan Executive Function System (D-KEFS; Delis, Kaplan, & Kramer, 2001). The results suggest that, despite considerable shared variability, the measures of executive functioning maintain unique variance that is not encapsulated in the construct of global intelligence. PMID:21390902

  2. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    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.

  4. Generating functional approach to Bose-Einstein correlations

    SciTech Connect

    Suzuki, N.; Biyajima, M.; Andreev, I.V.

    1997-11-01

    Bose-Einstein correlations are considered in the presence of M independent chaotic sources and a coherent source. Our approach is an extension of the formulation in the quantum optics given by Glauber and Lachs. The generating functional (GF) of Bose-Einstein correlation (BEC) functions is derived, and higher order BEC functions are obtained from the GF. A diagrammatic representation for cumulants is made. The number M is explicitly contained in our formulation, which is different from that given by Cramer {ital et al.} The possibility of estimating the number M from the analysis of BEC functions and cumulants is pointed out. Moreover, source size dependence of multiplicity distributions is shown in a simplified case. {copyright} {ital 1997} {ital The American Physical Society}

  5. 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.

  6. Explicitly correlated wave function for a boron atom

    NASA Astrophysics Data System (ADS)

    Puchalski, Mariusz; Komasa, Jacek; Pachucki, Krzysztof

    2015-12-01

    We present results of high-precision calculations for a boron atom's properties using wave functions expanded in the explicitly correlated Gaussian basis. We demonstrate that the well-optimized 8192 basis functions enable a determination of energy levels, ionization potential, and fine and hyperfine splittings in atomic transitions with nearly parts per million precision. The results open a window to a spectroscopic determination of nuclear properties of boron including the charge radius of the proton halo in the 8B nucleus.

  7. Structural and functional correlates of epileptogenesis — Does gender matter?

    PubMed Central

    Savic, Ivanka; Engel, Jerome

    2016-01-01

    In the majority of neuropsychiatric conditions, marked gender-based differences have been found in the epidemiology, clinical manifestations, and therapy of disease. One possible reason is that sex differences in cerebral morphology, structural and functional connections, render men and women differentially vulnerable to various disease processes. The present review addresses this issue with respect to the functional and structural correlates to some forms of epilepsy. PMID:24943053

  8. 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

  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. PMID:27601992

  10. Even-odd correlation functions on an optical lattice

    NASA Astrophysics Data System (ADS)

    Kapit, Eliot; Mueller, Erich

    2010-07-01

    We study how different many-body states appear in a quantum-gas microscope, such as the one developed at Harvard [Bakr , NatureNATUAS0028-083610.1038/nature08482 462, 74 (2009)], where the site-resolved parity of the atom number is imaged. We calculate the spatial correlations of the microscope images, corresponding to the correlation function of the parity of the number of atoms at each site. We produce analytic results for a number of well-known models: noninteracting bosons, the large-U Bose-Hubbard model, and noninteracting fermions. We find that these parity correlations tend to be less strong than density-density correlations, but they carry similar information.

  11. Coverage of dynamic correlation effects by density functional theory functionals: density-based analysis for neon.

    PubMed

    Jankowski, K; Nowakowski, K; Grabowski, I; Wasilewski, J

    2009-04-28

    The problem of linking the dynamic electron correlation effects defined in traditional ab initio methods [or wave function theories (WFTs)] with the structure of the individual density functional theory (DFT) exchange and correlation functionals has been analyzed for the Ne atom, for which nondynamic correlation effects play a negligible role. A density-based approach directly hinged on difference radial-density (DRD) distributions defined with respect the Hartree-Fock radial density has been employed for analyzing the impact of dynamic correlation effects on the density. Attention has been paid to the elimination of basis-set incompleteness errors. The DRD distributions calculated by several ab initio methods have been compared to their DFT counterparts generated for representatives of several generations of broadly used exchange-correlation functionals and for the recently developed orbital-dependent OEP2 exchange-correlation functional [Bartlett et al., J. Chem. Phys. 122, 034104 (2005)]. For the local, generalized-gradient, and hybrid functionals it has been found that the dynamic correlation effects are to a large extend accounted for by densities resulting from exchange-only calculations. Additional calculations with self-interaction corrected exchange potentials indicate that this finding cannot be explained as an artifact caused by the self-interaction error. It has been demonstrated that the VWN5 and LYP correlation functionals do not represent any substantial dynamical correlation effects on the electron density, whereas these effects are well represented by the orbital-dependent OEP2 correlation functional. Critical comparison of the present results with their counterparts reported in literature has been made. Some attention has been paid to demonstrating the differences between the energy- and density-based perspectives. They indicate the usefulness of density-based criteria for developing new exchange-correlation functionals. PMID:19405556

  12. Coverage of dynamic correlation effects by density functional theory functionals: Density-based analysis for neon

    NASA Astrophysics Data System (ADS)

    Jankowski, K.; Nowakowski, K.; Grabowski, I.; Wasilewski, J.

    2009-04-01

    The problem of linking the dynamic electron correlation effects defined in traditional ab initio methods [or wave function theories (WFTs)] with the structure of the individual density functional theory (DFT) exchange and correlation functionals has been analyzed for the Ne atom, for which nondynamic correlation effects play a negligible role. A density-based approach directly hinged on difference radial-density (DRD) distributions defined with respect the Hartree-Fock radial density has been employed for analyzing the impact of dynamic correlation effects on the density. Attention has been paid to the elimination of basis-set incompleteness errors. The DRD distributions calculated by several ab initio methods have been compared to their DFT counterparts generated for representatives of several generations of broadly used exchange-correlation functionals and for the recently developed orbital-dependent OEP2 exchange-correlation functional [Bartlett et al., J. Chem. Phys. 122, 034104 (2005)]. For the local, generalized-gradient, and hybrid functionals it has been found that the dynamic correlation effects are to a large extend accounted for by densities resulting from exchange-only calculations. Additional calculations with self-interaction corrected exchange potentials indicate that this finding cannot be explained as an artifact caused by the self-interaction error. It has been demonstrated that the VWN5 and LYP correlation functionals do not represent any substantial dynamical correlation effects on the electron density, whereas these effects are well represented by the orbital-dependent OEP2 correlation functional. Critical comparison of the present results with their counterparts reported in literature has been made. Some attention has been paid to demonstrating the differences between the energy- and density-based perspectives. They indicate the usefulness of density-based criteria for developing new exchange-correlation functionals.

  13. 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

  14. 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…

  15. 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

  16. 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.

  17. Entropy and correlation functions of a driven quantum spin chain

    SciTech Connect

    Cherng, R. W.; Levitov, L. S.

    2006-04-15

    We present an exact solution for a quantum spin chain driven through its critical points. Our approach is based on a many-body generalization of the Landau-Zener transition theory, applied to a fermionized spin Hamiltonian. The resulting nonequilibrium state of the system, while being a pure quantum state, has local properties of a mixed state characterized by finite entropy density associated with Kibble-Zurek defects. The entropy and the finite spin correlation length are functions of the rate of sweep through the critical point. We analyze the anisotropic XY spin-1/2 model evolved with a full many-body evolution operator. With the help of Toeplitz determinant calculus, we obtain an exact form of correlation functions. The properties of the evolved system undergo an abrupt change at a certain critical sweep rate, signaling the formation of ordered domains. We link this phenomenon to the behavior of complex singularities of the Toeplitz generating function.

  18. 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.

  19. 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.

  20. Emphasizing the exchange-correlation potential in functional development

    NASA Astrophysics Data System (ADS)

    Menconi, Giuseppina; Wilson, Philip J.; Tozer, David J.

    2001-03-01

    Exchange-correlation functionals are determined by constraining the potentials of flexible functional forms to be as parallel as possible to asymptotically vanishing ab initio exchange-correlation potentials. No thermochemical or gradient information is explicitly included in the fitting procedure. A range of spatial weightings is considered and the functionals are assessed by comparing with experiment and with the HCTH functional [J. Chem. Phys. 109, 6264 (1998)], which was determined by fitting to both potentials and to thermochemical and gradient data. Optimal thermochemistry, structures, and polarizabilities are simultaneously achieved by emphasizing an intermediate spatial region in the fit; an optimal functional is presented. The thermochemistry of this functional is less accurate than HCTH, although the structures of the fitting molecules are significantly improved. The mean absolute bond length error for 40 of the fitting molecules is 0.006 Å, a factor of 2 improvement over HCTH. The bond lengths of 16 diatomic radicals absent from the fitting data are also improved. For the difficult molecules FOOF, FNO2, O3, FO2, Cr(CO)6, and Ni(CO)4, the results are variable. The new functional improves the polarizabilities of 14 small molecules, compared to HCTH. It also improves electronic excitation energies to Rydberg states of N2, H2CO, and C6H6, although the errors remain significant, reflecting the incorrect asymptotic potential. To obtain optimal nuclear shielding constants, it is necessary to emphasize regions closer to the nuclei; a second functional is presented which gives improved shieldings compared to HCTH. By considering the dominant occupied-virtual excitation contributions to the paramagnetic shieldings in CO and H2O, analogies are drawn between our results and those of a recently proposed method for improving density functional shielding constants.

  1. A partitioned correlation function interaction approach for describing electron correlation in atoms

    NASA Astrophysics Data System (ADS)

    Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.

    2013-04-01

    The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR

  2. Correlation function ratios and the identification of space plasma instabilities

    NASA Technical Reports Server (NTRS)

    Gary, S. P.; Winske, Dan

    1992-01-01

    Wave-particle transport in a collisionless plasma is due to particle scattering by enhanced fluctuations associated with the growth of instabilities. In particular, relatively short wave-length kinetic instabilities are frequently invoked to explain many different types of plasma transport in space. Although there is an extensive theoretical and simulation literature describing the potential applications of many such instabilities, there are only a few cases of clear-cut identification of kinetic modes in space. The research described in this paper uses linear Vlasov dispersion theory to study correlation functions and dimensionless correlation function ratios for fluctuations or instabilities in three space plasma regimes. This research shows that both the compressibility and the parallel compressibility are likely to be useful in distinguishing modes in the magnetosheath as well as in the plasma sheet boundary layer and that helicity remains a useful identifier of electromagnetic ion/ion instabilities in the foreshock.

  3. Non-Markovianity measure using two-time correlation functions

    NASA Astrophysics Data System (ADS)

    Ali, Md. Manirul; Lo, Ping-Yuan; Tu, Matisse Wei-Yuan; Zhang, Wei-Min

    2015-12-01

    We investigate non-Markovianity measure using two-time correlation functions for open quantum systems. We define non-Markovianity measure as the difference between the exact two-time correlation function and the one obtained from quantum regression theorem in the Born-Markov approximation. Such non-Markovianity can easily be measured in experiments. We found that the non-Markovianity dynamics in different time scale crucially depends on the system-environment coupling strength and other physical parameters such as the initial temperature of the environment and the initial state of the system. In particular, we obtain the short-time and long-time behaviors of non-Markovianity for different spectral densities. We find that the thermal fluctuation always reduce the non-Markovian memory effect. Also, the non-Markovianity measure shows nontrivial initial state dependence in different time scales.

  4. Correlation of Thyroid Functions with Severity and Outcome of Pregnancy

    PubMed Central

    Kharb, S; Sardana, D; Nanda, S

    2013-01-01

    Background: During normal pregnancy, changes in thyroid function are well documented; however, information regarding thyroid function in preeclampsia is scanty. Aim: The present study was planned to study thyroid hormones in mild and severe preeclamptic women and normotensive women and correlate them with outcome of pregnancy. Subject and Methods: Thyroid hormones were analyzed in mild (n = 50) and severe (n = 50) cases of preeclamptic women and normotensive women (n = 100). Results: Thyroid-stimulating hormone (TSH) and TT4 levels were higher in mild preeclampsia as compared with severe preeclampsia (P < 0.001 and P < 0.01, respectively). TT3 levels were lower in preeclampsia (more so in severe preeclamptics as compared with normotensive pregnant and non-pregnant women). Preeclamptic with raised TSH levels had significantly higher mean arterial blood pressure and low birth weight (BW). A negative correlation was observed between BW and TSH levels (r = 0.296, P < 0.001) and BW and TT4 levels. A positive correlation was observed between BW and TT3 levels. Conclusion: These findings indicate that there is a state of biochemical hypothyroidism that correlates with severity of preeclampsia and influences obstetric outcome in these women. Identification of thyroid hormone in pregnancy might be of help in predicting occurrence of preeclampsia. PMID:23634328

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

    NASA Astrophysics Data System (ADS)

    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.

  6. 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. PMID:26871076

  7. Charmonium correlators and spectral functions at finite temperature

    SciTech Connect

    Ding,H.T.; Kaczmarek, O.; Karsch, F.; Satz, H.

    2008-09-01

    We present an operational approach to address the in-medium behavior of charmonium and analyze the reliability of maximum entropy method (MEM). We study the dependences of the ratio of correlators to the reconstructed one and the free one on the resonance's width and the continuum's threshold. Furthermore, we discuss the issue of the default model dependence of the spectral function obtained from MEM.

  8. Statistical Study of Turbulence: Spectral Functions and Correlation Coefficients

    NASA Technical Reports Server (NTRS)

    Frenkiel, Francois N.

    1958-01-01

    In reading the publications on turbulence of different authors, one often runs the risk of confusing the various correlation coefficients and turbulence spectra. We have made a point of defining, by appropriate concepts, the differences which exist between these functions. Besides, we introduce in the symbols a few new characteristics of turbulence. In the first chapter, we study some relations between the correlation coefficients and the different turbulence spectra. Certain relations are given by means of demonstrations which could be called intuitive rather than mathematical. In this way we demonstrate that the correlation coefficients between the simultaneous turbulent velocities at two points are identical, whether studied in Lagrange's or in Euler's systems. We then consider new spectra of turbulence, obtained by study of the simultaneous velocities along a straight line of given direction. We determine some relations between these spectra and the correlation coefficients. Examining the relation between the spectrum of the turbulence measured at a fixed point and the longitudinal-correlation curve given by G. I. Taylor, we find that this equation is exact only when the coefficient is very small.

  9. Hydrodynamic Waves and Correlation Functions in Dusty Plasmas

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, A.; Wang, Xiaogang

    1997-11-01

    A hydrodynamic description of strongly coupled dusty plasmas is given when physical quantities vary slowly in space and time and the system can be assumed to be in local thermodynamic equilibrium. The linear waves in such a system are analyzed. In particular, a dispersion equation is derived for low-frequency dust acoustic waves, including collisional damping effects, and compared with experimental results. The linear response of the system is calculated from the fluctuation-dissipation theorem and the hydrodynamic equations. The requirement that these two calculations coincide constrains the particle correlation function for slowly varying perturbations [L. P. Kadanoff and P. C. Martin, Ann. Phys. 24, 419 (1963)]. It is shown that in the presence of the slow dust-acoustic waves, the dust auto-correlation function is of the Debye-Hekel form and the shielding distance is the dust Debye length. In the short-wavelength regime, an integral equation is derived from kinetic theory and solved numerically to yield particle correlation functions that display ``liquid-like'' behavior and have been observed experimentally [R. A.. Quinn, C. Cui, J. Goree, J. B. Pieper, H. Thomas and G. E. Morfill, Phys. Rev. E 53, R2049 (1996)].

  10. Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides

    NASA Astrophysics Data System (ADS)

    Tran, Fabien; Blaha, Peter; Schwarz, Karlheinz; Novák, Pavel

    2006-10-01

    For the treatment of strongly correlated electrons, the corresponding Hartree-Fock exchange energy is used instead of the local density approximation (LDA) or generalized gradient approximation (GGA) functional, as suggested recently [P. Novák , Phys. Status Solidi B 243, 563 (2006)]. If this is done only inside the atomic spheres, using an augmented plane wave scheme, a significant simplification and reduction of computational cost is achieved with respect to the usual but costly implementation of the Hartree-Fock formalism in solids. Starting from this, we construct exchange-correlation energy functionals of the hybrid form like B3PW91, PBE0, etc. These functionals are tested on the transition-metal monoxides MnO, FeO, CoO, and NiO, and the results are compared with the LDA, GGA, LDA+U , and experimental ones. The results show that the proposed method, which does not contain any system-dependent input parameter, gives results comparable or superior to the ones obtained with LDA+U which is designed to improve significantly over the LDA and GGA results for systems containing strongly correlated electrons. The computational efficiency, similar to the LDA+U one, and accuracy of the proposed method show that it represents a very good alternative to LDA+U .

  11. 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. PMID:26341950

  12. 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

  13. 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.

  14. 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.

  15. Isospin effects in two-particle correlation functions

    NASA Astrophysics Data System (ADS)

    Henzl, Vladimir; Henzlova, D.; Famiano, M.; Kilburn, M.; Lynch, W.; Coupland, D.; Elson, J.; Herlitzius, C.; Hudan, S.; Lee, J.; Lukyanov, S.; Rogers, A.; Sanetullaev, A.; de Souza, R.; Sobotka, L.; Sun, Z.; Tsang, B.; Vander Molen, A.; Verde, G.; Wallace, M.; Youngs, M.

    2008-04-01

    Dynamical and thermal properties of excited nuclear system produced during heavy ion collisions at intermediate incident energies can be studied by means of the intensity interferometry, which when applied to both charged particles (light charged particles and intermediate mass fragments) provide information about space-time properties of nuclear reactions. The shape of 2-particle correlation functions reflects the nature of the final state interaction and possible presence of a collective motion driven by the nuclear EoS. BUU simulations predict that the symmetry term of the EoS will affect the 2-proton correlation function, reflecting a more pronounced pre-equilibrium emission and shorter emission times when stiffer density dependence of the symmetry term is assumed. We will present preliminary results on the isospin effect on the 2-proton correlations measured in reactions ^40,48Ca+^40,48Ca at 80A MeV. The experiment was performed at the NSCL/MSU using High Resolution Array (HiRA) in coincidence with the 4pi array. This work is supported by the National Science Foundation under Grant Nos. PHY-0606007 and PHY-9977707.

  16. 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

  17. 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.

  18. Phagocytic function in cyclists: correlation with catecholamines and cortisol.

    PubMed

    Ortega Rincón, E; Marchena, J M; García, J J; Schmidt, A; Schulz, T; Malpica, I; Rodríguez, A B; Barriga, C; Michna, H; Lötzerich, H

    2001-09-01

    Flow cytometer measurements were made of the basal variations in peripheral blood functional monocytes and granulocytes over the course of a training season (January to November) of a cycling team. Parallel determinations were made of plasma concentration of catecholamines (chromatography) and cortisol (RIA) in a search for neuroendocrine markers. The results showed the greatest phagocytic capacity to occur in the central months (March, May, and July), coinciding with the greatest number and highest level of competitive events with good correlation with a peak in epinephrine during these months (r(2) = 0.998 for monocytes and r(2) = 0.674 for granulocytes). No good correlations were found between phagocytosis and norepinephrine or cortisol. The highest values for phagocytosis and epinephrine concentration were found in May. These results suggest that blood epinephrine concentration could be a good neuroendocrine marker of sportspeople's phagocytic response. PMID:11509500

  19. Self-interaction-free nonlocal correlation energy functional associated with a Jastrow function

    NASA Astrophysics Data System (ADS)

    Umezawa, Naoto; Austin, Brian; Lester, William A., Jr.

    2010-03-01

    We propose a self-interaction-free nonlocal correlation energy functional based on the transcorrelated method [1]. An effective Hamiltonian, Heff=1F H F, is derived from a similarity transformation with respect to a `Jastrow' correlation factor, F. The total energy is given by the expectation value of Heff with respect to a single Slater determinant. If a two-body Jastrow function is adopted, the resulting method resembles a Kohn-Sham density functional theory in which the correlation energy functional consists of two- and three-body interactions [2]. To simplify our calculations, we exclude the three-body terms and instead multiply the two-body term by an adjustable parameter that ensures convergence of the correlation energy to the exact limit for the homogeneous electron gas. The computational cost of the proposed method is comparable to the Hartree-Fock method. Moreover, the present correlation functional does not include self-interaction terms. The performance of this functional for various atoms and molecules will be presented. [1]S. F. Boys and N. C. Handy, Proc. Roy. Soc. A, 309, 209; 310, 43; 310, 63; 311, 309 (1969). [2] N. Umezawa and T. Chikyow, Phys. Rev. A 73, 062116 (2006).

  20. 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).

  1. 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

  2. Adiabatic Approximation of the Correlation Function in the Density-Functional Treatment of Ionization Processes

    SciTech Connect

    Wilken, F.; Bauer, D.

    2006-11-17

    The ionization of a one-dimensional model helium atom in short laser pulses using time-dependent density-functional theory is investigated. We calculate ionization probabilities as a function of laser intensity by approximating the correlation function of the system adiabatically with an explicit dependence on the fractional number of bound electrons. For the correlation potential we take the derivative discontinuity at integer numbers of bound electrons explicitly into account. This approach reproduces ionization probabilities from the solution of the time-dependent Schroedinger equation, in particular, the so-called knee due to nonsequential ionization.

  3. Pain threshold correlates with functional scores in osteoarthritis patients

    PubMed Central

    Kuni, Benita; Wang, Haili; Rickert, Markus; Ewerbeck, Volker; Schiltenwolf, Marcus

    2015-01-01

    Background and purpose Pain sensitization may be one of the reasons for persistent pain after technically successful joint replacement. We analyzed how pain sensitization, as measured by quantitative sensory testing, relates preoperatively to joint function in patients with osteoarthritis (OA) scheduled for joint replacement. Patients and methods We included 50 patients with knee OA and 49 with hip OA who were scheduled for joint replacement, and 15 control participants. Hip/knee scores, thermal and pressure detection, and pain thresholds were examined. Results Median pressure pain thresholds were lower in patients than in control subjects: 4.0 (range: 0–10) vs. 7.8 (4–10) (p = 0.003) for the affected knee; 4.5 (2–10) vs. 6.8 (4–10) (p = 0.03) for the affected hip. Lower pressure pain threshold values were found at the affected joint in 26 of the 50 patients with knee OA and in 17 of the 49 patients with hip OA. The American Knee Society score 1 and 2, the Oxford knee score, and functional questionnaire of Hannover for osteoarthritis score correlated with the pressure pain thresholds in patients with knee OA. Also, Harris hip score and the functional questionnaire of Hannover for osteoarthritis score correlated with the cold detection threshold in patients with hip OA. Interpretation Quantitative sensory testing appeared to identify patients with sensory changes indicative of mechanisms of central sensitization. These patients may require additional pain treatment in order to profit fully from surgery. There were correlations between the clinical scores and the level of sensitization. PMID:25323797

  4. 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. PMID:26655584

  5. Hydrodynamic waves and correlation functions in dusty plasmas

    SciTech Connect

    Wang, X.; Bhattacharjee, A.

    1997-11-01

    A hydrodynamic description of strongly coupled dusty plasmas is given when physical quantities vary slowly in space and time and the system can be assumed to be in local thermodynamic equilibrium. The linear waves in such a system are analyzed. In particular, a dispersion equation is derived for low-frequency dust acoustic waves, including collisional damping effects, and compared with experimental results. The linear response of the system is calculated from the fluctuation-dissipation theorem and the hydrodynamic equations. The requirement that these two calculations coincide constrains the particle correlation function for slowly varying perturbations. It is shown that in the presence of weakly damped, long-wavelength dust-acoustic waves, the dust autocorrelation function is of the Debye{endash}H{umlt u}ckel form and the characteristic shielding distance is the dust Debye length. {copyright} {ital 1997 American Institute of Physics.}

  6. 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

  7. 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.

  8. Correlating Function and Imaging Measures of the Medial Longitudinal Fasciculus

    PubMed Central

    Sakaie, Ken; Takahashi, Masaya; Remington, Gina; Wang, Xiaofeng; Conger, Amy; Conger, Darrel; Dimitrov, Ivan; Jones, Stephen; Frohman, Ashley; Frohman, Teresa; Sagiyama, Koji; Togao, Osamu

    2016-01-01

    Objective To test the validity of diffusion tensor imaging (DTI) measures of tissue injury by examining such measures in a white matter structure with well-defined function, the medial longitudinal fasciculus (MLF). Injury to the MLF underlies internuclear ophthalmoparesis (INO). Methods 40 MS patients with chronic INO and 15 healthy controls were examined under an IRB-approved protocol. Tissue integrity of the MLF was characterized by DTI parameters: longitudinal diffusivity (LD), transverse diffusivity (TD), mean diffusivity (MD) and fractional anisotropy (FA). Severity of INO was quantified by infrared oculography to measure versional disconjugacy index (VDI). Results LD was significantly lower in patients than in controls in the medulla-pons region of the MLF (p < 0.03). FA was also lower in patients in the same region (p < 0.0004). LD of the medulla-pons region correlated with VDI (R = -0.28, p < 0.05) as did FA in the midbrain section (R = 0.31, p < 0.02). Conclusions This study demonstrates that DTI measures of brain tissue injury can detect injury to a functionally relevant white matter pathway, and that such measures correlate with clinically accepted evaluation indices for INO. The results validate DTI as a useful imaging measure of tissue integrity. PMID:26800522

  9. 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.

  10. Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

    PubMed

    Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

    2015-04-21

    We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method. PMID:25903880

  11. Correlation functions from a unified variational principle: Trial Lie groups

    NASA Astrophysics Data System (ADS)

    Balian, R.; Vénéroni, M.

    2015-11-01

    Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables of interest. It is built by imposing through Lagrange multipliers constraints that account for the initial state (at equilibrium or off equilibrium) and for the backward Heisenberg evolution of the observables. The trial objects are respectively akin to a density operator and to an operator involving the observables of interest and the sources. We work out here the case where trial spaces constitute Lie groups. This choice reduces the original degrees of freedom to those of the underlying Lie algebra, consisting of simple observables; the resulting objects are labeled by the indices of a basis of this algebra. Explicit results are obtained by expanding in powers of the sources. Zeroth and first orders provide thermodynamic quantities and expectation values in the form of mean-field approximations, with dynamical equations having a classical Lie-Poisson structure. At second order, the variational expression for two-time correlation functions separates-as does its exact counterpart-the approximate dynamics of the observables from the approximate correlations in the initial state. Two building blocks are involved: (i) a commutation matrix which stems from the structure constants of the Lie algebra; and (ii) the second-derivative matrix of a free-energy function. The diagonalization of both matrices, required for practical calculations, is worked out, in a way analogous to the standard RPA. The ensuing structure of the variational formulae is the same as for a system of non-interacting bosons (or of harmonic oscillators) plus, at non-zero temperature, classical Gaussian variables. This property is explained by mapping the original Lie algebra onto a simpler Lie algebra. The results, valid for any trial Lie group, fulfill consistency

  12. 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.

  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. The partial pair correlation functions of dense supercritical water

    NASA Astrophysics Data System (ADS)

    Tassaing, T.; Bellissent-Funel, M.-C.; Guillot, B.; Guissani, Y.

    1998-05-01

    Neutron diffraction measurements of heavy water and of two isotopic H2O/D2O mixtures at supercritical state (T = 380 °C and ρD2O = 0.73 g/cm3) are presented. In combining the set of neutron diffraction data with previous X-rays measurements of Yamanaka et al. (J. Chem. Phys., 101 (1994) 9830), it has been possible by using a Monte Carlo method to reach the partial pair correlation functions gOH(r), gHH(r) and gOO(r). The results are compared with molecular-dynamics simulations using the SPCE pair potential for water. These new results confirm that hydrogen bonding is still present in dense supercritical water.

  15. Analog computation of auto and cross-correlation functions

    NASA Technical Reports Server (NTRS)

    1974-01-01

    For analysis of the data obtained from the cross beam systems it was deemed desirable to compute the auto- and cross-correlation functions by both digital and analog methods to provide a cross-check of the analysis methods and an indication as to which of the two methods would be most suitable for routine use in the analysis of such data. It is the purpose of this appendix to provide a concise description of the equipment and procedures used for the electronic analog analysis of the cross beam data. A block diagram showing the signal processing and computation set-up used for most of the analog data analysis is provided. The data obtained at the field test sites were recorded on magnetic tape using wide-band FM recording techniques. The data as recorded were band-pass filtered by electronic signal processing in the data acquisition systems.

  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. 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.

  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. 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

  20. 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.

  1. Cognitive function in acromegaly: description and brain volumetric correlates.

    PubMed

    Sievers, Caroline; Sämann, P G; Pfister, H; Dimopoulou, C; Czisch, M; Roemmler, J; Schopohl, J; Stalla, G K; Zihl, J

    2012-09-01

    In acromegaly, we reported on increased rates of affective disorders such as dysthymia and depression, as well as structural brain changes. Objective of this study was to determine if cognitive impairments in patients with acromegaly exist and whether such impairments are associated with structural brain alterations defined by magnetic resonance imaging (MRI). In this cross-sectional study, 55 patients with biochemically confirmed acromegaly were enrolled. MRI data were compared with 87 control subjects. Main outcome measures were performance levels in 13 cognitive tests covering the domains of attention, memory and executive function, with performance below the cut-off level of the 16th percentile rated as impaired. In addition, individual global and hippocampal volume changes were defined for each patient in reference to a normative sample. We found that up to 33.3% of the patients were impaired in the attention, up to 24.1% in the memory, and up to 16.7% in the executive function domain. 67.3% of the patients failed to reach the cut-off level in at least one subtest. MRI demonstrated increased global, left and right hippocampal grey matter and white matter, particularly early in the disease course. Rather few positive than expected negative correlations could be established between the hippocampal grey matter gain and cognitive performance. Cognitive dysfunction, particularly attentional deficits, are common in acromegaly, rendering neuropsychological testing essential in the diagnostic work-up. PMID:21735089

  2. 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.

  3. 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.

  4. Cytology and Functionally Correlated Circuits of Human Posterior Cingulate Areas

    PubMed Central

    Vogt, Brent A.; Vogt, Leslie; Laureys, Steven

    2008-01-01

    Human posterior cingulate cortex (PCC) and retrosplenial cortex (RSC) form the posterior cingulate gyrus, however, monkey connection and human imaging studies suggest that PCC area 23 is not uniform and atlases mislocate RSC. We histologically assessed these regions in 6 postmortem cases, plotted a flat map, and characterized differences in dorsal (d) and ventral (v) area 23. Subsequently, functional connectivity of histologically guided regions of interest (ROI) were assessed in 163 [18F]fluorodeoxyglucose human cases with PET. Compared to area d23, area v23 had a higher density and larger pyramids in layers II, IIIc, and Vb and more intermediate neurofilament-expressing neurons in layer Va. Coregisrtration of each case to standard coordinates showed that the ventral branch of the splenial sulci coincided with the border between d/v PCC at −5.4±0.17 cm from the vertical plane and +1.97±0.08 cm from the bi-commissural line. Correlation analysis of glucose metabolism using histologically guided ROIs suggested important circuit differences including dorsal and ventral visual stream inputs, interactions between the vPCC and subgenual cingulate cortex, and preferential relations between dPCC and the cingulate motor region. The RSC, in contrast, had restricted correlated activity with pericallosal cortex and thalamus. Visual information may be processed with an orbitofrontal link for synthesis of signals to drive premotor activity through dPCC. Review of the literature in terms of a PCC duality suggests that interactions of dPCC, including area 23d, orients the body in space via the cingulate motor areas, while vPCC interacts with subgenual cortex to process self-relevant emotional and non-emotional information and objects and self reflection. PMID:16140550

  5. 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.

  6. Universal microscopic correlation functions for products of truncated unitary matrices

    NASA Astrophysics Data System (ADS)

    Akemann, Gernot; Burda, Zdzislaw; Kieburg, Mario; Nagao, Taro

    2014-06-01

    We investigate the spectral properties of the product of M complex non-Hermitian random matrices that are obtained by removing L rows and columns of larger unitary random matrices uniformly distributed on the group U(N + L). Such matrices are called truncated unitary matrices or random contractions. We first derive the joint probability distribution for the complex eigenvalues of the product matrix for fixed N, L, and M, given by a standard determinantal point process in the complex plane. The weight however is non-standard and can be expressed in terms of the Meijer G-function. The explicit knowledge of all eigenvalue correlation functions and the corresponding kernel allows us to take various large N (and L) limits at fixed M. At strong non-unitarity, with L/N finite, the eigenvalues condense on a domain inside the unit circle. At the edge and in the bulk we find the same universal microscopic kernel as for a single complex non-Hermitian matrix from the Ginibre ensemble. At the origin we find the same new universality classes labeled by M as for the product of M matrices from the Ginibre ensemble. Keeping a fixed size of truncation, L, when N goes to infinity leads to weak non-unitarity, with most eigenvalues on the unit circle as for unitary matrices. Here we find a new microscopic edge kernel that generalizes the known results for M = 1. We briefly comment on the case when each product matrix results from a truncation of different size Lj.

  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. 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

  9. 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.

  10. [Structure and function of township agroecosystems and their correlation in northern plain areas of Zhejiang Province].

    PubMed

    Wu, Jianjun; Ke, Jinhu

    2002-06-01

    The structure and functions of 15 township agroecosystems in northern plain areas of Zhejiang Province were investigated and studied. Both cluster analysis and correlation analysis were used to study the correlation between the holistic structure and function of the agroecosystems. The results showed that cluster analysis could reveal the correlation between the holistic structure and function of the agroecosystems, which was conducive for mastering the direction of holistic structural adjustment. Correlation analysis could identify the extent and direction of correlation between specific structural and functional indicators, which could serve as the basis for specific structural adjustment for optimization of functions. PMID:12216398

  11. Self-Reported Sleep Correlates with Prefrontal-Amygdala Functional Connectivity and Emotional Functioning

    PubMed Central

    Killgore, William D. S.

    2013-01-01

    Study Objectives: Prior research suggests that sleep deprivation is associated with declines in some aspects of emotional intelligence and increased severity on indices of psychological disturbance. Sleep deprivation is also associated with reduced prefrontal-amygdala functional connectivity, potentially reflecting impaired top-down modulation of emotion. It remains unknown whether this modified connectivity may be observed in relation to more typical levels of sleep curtailment. We examined whether self-reported sleep duration the night before an assessment would be associated with these effects. Design: Participants documented their hours of sleep from the previous night, completed the Bar-On Emotional Quotient Inventory (EQ-i), Mayer-Salovey-Caruso Emotional Intelligence Test (MSCEIT), and Personality Assessment Inventory (PAI), and underwent resting-state functional magnetic resonance imaging (fMRI). Setting: Outpatient neuroimaging center at a private psychiatric hospital. Participants: Sixty-five healthy adults (33 men, 32 women), ranging in age from 18-45 y. Interventions: N/A. Measurements and Results: Greater self-reported sleep the preceding night was associated with higher scores on all scales of the EQ-i but not the MSCEIT, and with lower symptom severity scores on half of the psychopathology scales of the PAI. Longer sleep was also associated with stronger negative functional connectivity between the right ventromedial prefrontal cortex and amygdala. Moreover, greater negative connectivity between these regions was associated with higher EQ-i and lower symptom severity on the PAI. Conclusions: Self-reported sleep duration from the preceding night was negatively correlated with prefrontal-amygdala connectivity and the severity of subjective psychological distress, while positively correlated with higher perceived emotional intelligence. More sleep was associated with higher emotional and psychological strength. Citation: Killgore WDS. Self

  12. Anisotropic extinction distortion of the galaxy correlation function

    NASA Astrophysics Data System (ADS)

    Fang, Wenjuan; Hui, Lam; Ménard, Brice; May, Morgan; Scranton, Ryan

    2011-09-01

    Similar to the magnification of the galaxies’ fluxes by gravitational lensing, the extinction of the fluxes by comic dust, whose existence is recently detected by [B. Ménard, R. Scranton, M. Fukugita, and G. Richards, Mon. Not. R. Astron. Soc.MNRAA40035-8711 405, 1025 (2010)DOI: 10.1111/j.1365-2966.2010.16486.x.], also modifies the distribution of a flux-selected galaxy sample. We study the anisotropic distortion by dust extinction to the 3D galaxy correlation function, including magnification bias and redshift distortion at the same time. We find the extinction distortion is most significant along the line of sight and at large separations, similar to that by magnification bias. The correction from dust extinction is negative except at sufficiently large transverse separations, which is almost always opposite to that from magnification bias (we consider a number count slope s>0.4). Hence, the distortions from these two effects tend to reduce each other. At low z (≲1), the distortion by extinction is stronger than that by magnification bias, but at high z, the reverse holds. We also study how dust extinction affects probes in real space of the baryon acoustic oscillations (BAO) and the linear redshift distortion parameter β. We find its effect on BAO is negligible. However, it introduces a positive scale-dependent correction to β that can be as large as a few percent. At the same time, we also find a negative scale-dependent correction from magnification bias, which is up to percent level at low z, but to ˜40% at high z. These corrections are non-negligible for precision cosmology, and should be considered when testing General Relativity through the scale-dependence of β.

  13. 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.

  14. LIBXC: A library of exchange and correlation functionals for density functional theory

    NASA Astrophysics Data System (ADS)

    Marques, Miguel A. L.; Oliveira, Micael J. T.; Burnus, Tobias

    2012-10-01

    The central quantity of density functional theory is the so-called exchange-correlation functional. This quantity encompasses all non-trivial many-body effects of the ground-state and has to be approximated in any practical application of the theory. For the past 50 years, hundreds of such approximations have appeared, with many successfully persisting in the electronic structure community and literature. Here, we present a library that contains routines to evaluate many of these functionals (around 180) and their derivatives. Program summary Program title: LIBXC Catalogue identifier: AEMU_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEMU_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU Lesser General Public License version 3 No. of lines in distributed program, including test data, etc.: 87455 No. of bytes in distributed program, including test data, etc.: 945365 Distribution format: tar.gz Programming language: C with Fortran bindings. Computer: All. Operating system: All. RAM: N.A. Classification: 7.3, 16.1. Nature of problem: Evaluation of the exchange-correlation energy functional and its derivatives. This is a fundamental part of any atomic, molecular, or solid-state code that uses density-functional theory. Solution method: The values of the energy functional and its derivatives are given in a real grid of mesh points. Running time: Typically much smaller than the remainder of the electronic structure code. The running time has a natural linear scaling with the number of grid points.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    Baniassadi, M.; Safdari, M.; Garmestani, H.; Ahzi, S.; Geubelle, P. H.; Remond, Y.

    2014-02-01

    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.

  17. The discrete correlation function - A new method for analyzing unevenly sampled variability data

    NASA Technical Reports Server (NTRS)

    Edelson, R. A.; Krolik, J. H.

    1988-01-01

    A method for measuring correlation functions without interpolating in the temporal domain is proposed which provides an assumption-free representation of the correlation measured in the data and allows meaningful error estimates. Physical interpretation of the cross-correlation function of two series believed to be related by a convolution is shown to require knowledge of the input function's fluctuation power spectrum. Application of the method to two systems reveals no correlation for the optical data of Akn 120, but a strong correlation for the UV data of NGC 4151, placing bounds of between 1.2 and 20 light days on the size of the line-emitting region.

  18. A Correlation between Protein Function and Ligand Binding Profiles

    PubMed Central

    Shortridge, Matthew D.; Bokemper, Michael; Copeland, Jennifer C.; Stark, Jaime L.; Powers, Robert

    2011-01-01

    We report that proteins with the same function bind the same set of small molecules from a standardized chemical library. This observation led to a quantifiable and rapidly adaptable method for protein functional analysis using experimentally-derived ligand binding profiles. Ligand binding is measured using a high-throughput NMR ligand affinity screen with a structurally diverse chemical library. The method was demonstrated using a set of 19 proteins with a range of functions. A statistically significant similarity in ligand binding profiles was only observed between the two functionally identical albumins and between the five functionally similar amylases. This new approach is independent of sequence, structure or evolutionary information, and therefore, extends our ability to analyze and functionally annotate novel genes. PMID:21366353

  19. Estimation of purity in terms of correlation functions

    SciTech Connect

    Prosen, Tomaz; Znidaric, Marko; Seligman, Thomas H.

    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.

  20. 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.

  1. 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.

  2. a Renormalization Group Calculation of the Velocity - and Density-Density Correlation Functions.

    NASA Astrophysics Data System (ADS)

    Cowan, Mark Timothy

    The velocity-velocity correlation function of a free field theory is obtained. The renormalization group, along with a 4-varepsilon expansion, is then used to find the leading order behavior of the velocity-velocity correlation function for an interacting field theory in the high temperature phase near the critical point. The details of the calculation of the density-density correlation function for Hedgehogs, in the context of a free field theory, is presented next. Finally the renormalization group, along with a 4-varepsilon expansion, is used to find the leading order behavior of the density-density correlation function for Hedgehogs in an interacting field theory near the critical point.

  3. The discrete correlation function: A new method for analyzing unevenly sampled variability data. [IUE

    NASA Technical Reports Server (NTRS)

    Edelson, R. A.; Krolik, J. H.

    1988-01-01

    A method of measuring correlation functions without interpolating in the temporal domain, the discrete correlation function, is introduced. It provides an assumption-free representation of the correlation measured in the data, and allows meaningful error estimates. This method does not produce spurious correlations at zero lag due to correlated errors. It is shown that physical interpretation of active galactic nuclei cross-correlation functions requires knowledge of the input function's fluctuation power spectrum, involves model-dependence in the form of symmetry assumptions, and must take into account intrinsic scale bias. This technique was used to find a correlation in published IUE data for NGC 4151, which indicates that the broad C IV feature emanates from a shell 15 to 75 light-days in radius, assuming spherical symmetry.

  4. 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.

  5. Functional correlations of respiratory syncytial virus proteins to intrinsic disorder.

    PubMed

    Whelan, Jillian N; Reddy, Krishna D; Uversky, Vladimir N; Teng, Michael N

    2016-04-26

    Protein intrinsic disorder is an important characteristic demonstrated by the absence of higher order structure, and is commonly detected in multifunctional proteins encoded by RNA viruses. Intrinsically disordered regions (IDRs) of proteins exhibit high flexibility and solvent accessibility, which permit several distinct protein functions, including but not limited to binding of multiple partners and accessibility for post-translational modifications. IDR-containing viral proteins can therefore execute various functional roles to enable productive viral replication. Respiratory syncytial virus (RSV) is a globally circulating, non-segmented, negative sense (NNS) RNA virus that causes severe lower respiratory infections. In this study, we performed a comprehensive evaluation of predicted intrinsic disorder of the RSV proteome to better understand the functional role of RSV protein IDRs. We included 27 RSV strains to sample major RSV subtypes and genotypes, as well as geographic and temporal isolate differences. Several types of disorder predictions were applied to the RSV proteome, including per-residue (PONDR®-FIT and PONDR® VL-XT), binary (CH, CDF, CH-CDF), and disorder-based interactions (ANCHOR and MoRFpred). We classified RSV IDRs by size, frequency and function. Finally, we determined the functional implications of RSV IDRs by mapping predicted IDRs to known functional domains of each protein. Identification of RSV IDRs within functional domains improves our understanding of RSV pathogenesis in addition to providing potential therapeutic targets. Furthermore, this approach can be applied to other NNS viruses that encode essential multifunctional proteins for the elucidation of viral protein regions that can be manipulated for attenuation of viral replication. PMID:27062995

  6. 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

  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. 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…

  9. 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.

  10. 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

  11. The properties of tagged lattice fluids: II. Velocity correlation functions

    SciTech Connect

    Binder, P.M.; d'Humieres, D.; Poujol, L.

    1988-01-01

    We report preliminary measurements of the velocity autocorrelation function for a tagged particle in a lattice gas. These measurements agree with the Boltzmann-level theory. The Green-Kubo integration of these measurements agrees with theoretical predictions for the diffusion coefficient. To within the error bars of the simulations (3 /times/ 10/sup /minus/3/) we observe no long-time tails. 9 refs., 1 fig., 1 tab.

  12. Spectral function and photoemission spectra in antiferromagnetically correlated metals

    SciTech Connect

    Kampf, A.P.; Schrieffer, J.R. )

    1990-11-01

    Antiferromagnetic spin fluctuations in a two-dimensional metal, such as doped high-{Tc} superconductors, lead to a pseudogap in the electronic spectrum. In the spectral function weight is shifted from the single quasiparticle peak of the Fermi-liquid regime to the incoherent particle and hole backgrounds, which evolve into the upper and lower Mott-Hubbard bands of the antiferromagnetic insulator. Precursors of these split bands show up as shadow bands'' in angle-resolved photoemission spectra.

  13. 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. PMID:26525713

  14. Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional.

    PubMed

    Maximoff, Sergey N; Ernzerhof, Matthias; Scuseria, Gustavo E

    2004-02-01

    The probability current density is used in addition to the electron density and its gradient as a variable in the construction of an exchange-correlation functional. Starting from the Perdew-Burke-Ernzerhof generalized gradient approximation, we employ exact conditions to build a nonempirical exchange functional. Matching the correlation functional to that for exchange yields a current-dependent approximation for correlation. The resulting functional is given in a simple closed form. Application of this approximation to open shell atoms eliminates the artificial level splitting of formally degenerate states observed with generalized gradient approximations. PMID:15268348

  15. 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. PMID:27049843

  16. 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.

  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. Relationship between dressing and motor function in stroke patients: a study with partial correlation analysis

    PubMed Central

    Fujita, Takaaki; Sato, Atsushi; Yamamoto, Yuichi; Yamane, Kazuhiro; Otsuki, Koji; Tsuchiya, Kenji; Tozato, Fusae

    2015-01-01

    [Purpose] The aim of the present study was to elucidate which motor functions are most or more important for dressing performance before and after rehabilitation. [Subjects] Seventy-nine first episode stroke patients in a hospital convalescent rehabilitation ward. [Methods] The relationships between motor function of the affected upper and lower limbs, unaffected side function, trunk function, balance, cognitive function, and independence level in dressing were examined at admission and discharge using partial correlation analysis. [Results] Independence level of dressing correlated with motor function of the affected upper limb and balance at admission, but correlated only with balance at discharge. [Conclusion] Balance function was strongly associated with level of dressing independence. The effect of gross motor function of the affected upper and lower limbs on the level of independence in dressing may thus be smaller than originally expected. Enhanced balance ability can be important for learning single-handed actions of self-dressing during rehabilitation. PMID:26834349

  19. Relationship between dressing and motor function in stroke patients: a study with partial correlation analysis.

    PubMed

    Fujita, Takaaki; Sato, Atsushi; Yamamoto, Yuichi; Yamane, Kazuhiro; Otsuki, Koji; Tsuchiya, Kenji; Tozato, Fusae

    2015-12-01

    [Purpose] The aim of the present study was to elucidate which motor functions are most or more important for dressing performance before and after rehabilitation. [Subjects] Seventy-nine first episode stroke patients in a hospital convalescent rehabilitation ward. [Methods] The relationships between motor function of the affected upper and lower limbs, unaffected side function, trunk function, balance, cognitive function, and independence level in dressing were examined at admission and discharge using partial correlation analysis. [Results] Independence level of dressing correlated with motor function of the affected upper limb and balance at admission, but correlated only with balance at discharge. [Conclusion] Balance function was strongly associated with level of dressing independence. The effect of gross motor function of the affected upper and lower limbs on the level of independence in dressing may thus be smaller than originally expected. Enhanced balance ability can be important for learning single-handed actions of self-dressing during rehabilitation. PMID:26834349

  20. Time-normalized correlation function of ultracold atomic gas released from an optical lattice

    SciTech Connect

    Li Yan; Chen Lisheng; Xiong Hongwei

    2007-12-15

    The time-correlation function of ultracold atomic gas is theoretically investigated. Atoms are initially confined in an optical lattice and in a Mott insulator regime. We consider the effect of gravity on the time correlation among atomic wave functions when the atomic cloud is released from the optical lattice. The time-correlation function in this process displays sharp peaks, a feature that is analogous to the spatial-normalized correlation observed in recent experiments. The origin and properties of the interference pattern are theoretically investigated in detail. Similar to the spatial correlation, the time correlation in expanding atomic clouds reveals the ordering of indistinguishable particles in an optical lattice. Experimental detection scheme and its potential use in the measurement of gravitational acceleration are briefly discussed.

  1. The functional neuroimaging correlates of psychogenic versus organic dystonia.

    PubMed

    Schrag, Anette E; Mehta, Arpan R; Bhatia, Kailash P; Brown, Richard J; Frackowiak, Richard S J; Trimble, Michael R; Ward, Nicholas S; Rowe, James B

    2013-03-01

    The neurobiological basis of psychogenic movement disorders remains poorly understood and the management of these conditions difficult. Functional neuroimaging studies have provided some insight into the pathophysiology of disorders implicating particularly the prefrontal cortex, but there are no studies on psychogenic dystonia, and comparisons with findings in organic counterparts are rare. To understand the pathophysiology of these disorders better, we compared the similarities and differences in functional neuroimaging of patients with psychogenic dystonia and genetically determined dystonia, and tested hypotheses on the role of the prefrontal cortex in functional neurological disorders. Patients with psychogenic (n = 6) or organic (n = 5, DYT1 gene mutation positive) dystonia of the right leg, and matched healthy control subjects (n = 6) underwent positron emission tomography of regional cerebral blood flow. Participants were studied during rest, during fixed posturing of the right leg and during paced ankle movements. Continuous surface electromyography and footplate manometry monitored task performance. Averaging regional cerebral blood flow across all tasks, the organic dystonia group showed abnormal increases in the primary motor cortex and thalamus compared with controls, with decreases in the cerebellum. In contrast, the psychogenic dystonia group showed the opposite pattern, with abnormally increased blood flow in the cerebellum and basal ganglia, with decreases in the primary motor cortex. Comparing organic dystonia with psychogenic dystonia revealed significantly greater regional blood flow in the primary motor cortex, whereas psychogenic dystonia was associated with significantly greater blood flow in the cerebellum and basal ganglia (all P < 0.05, family-wise whole-brain corrected). Group × task interactions were also examined. During movement, compared with rest, there was abnormal activation in the right dorsolateral prefrontal cortex that was

  2. 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.

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

    NASA Astrophysics Data System (ADS)

    Salini, K.; Prabhu, R.; Sen(De), Aditi; Sen, Ujjwal

    2014-09-01

    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.

  4. 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

  5. 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. PMID:17129128

  6. Correlation functions of the Aharony-Bergman-Jafferis-Maldacena model

    NASA Astrophysics Data System (ADS)

    Lee, Bum-Hoon; Gwak, Bogeun; Park, Chanyong

    2013-04-01

    In the Aharony-Bergman-Jafferis-Maldacena model, we study the three-point function of two heavy operators and an (ir)relevant one. Following the AdS/CFT correspondence, the structure constant in the large ’t Hooft coupling limit can be factorized into two parts. One is the structure constant with a marginal operator, which is fully determined by the physical quantities of heavy operators and gives rise to a result that is consistent with the renormalization-group analysis. The other can be expressed as the universal form depending only on the conformal dimension of an (ir)relevant operator. We also investigate the new size effect of a circular string dual to a certain closed spin chain.

  7. 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.

  8. The intrapair electron correlation in natural orbital functional theory

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    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: H2, LiH, and Li2. 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: Li2, Li3+, Li4^{2+}, and H3+. The improvement of PNOF5e over PNOF5 was observed by visualizing the electron densities.

  9. Functional connectivity homogeneity correlates with duration of temporal lobe epilepsy.

    PubMed

    Haneef, Zulfi; Chiang, Sharon; Yeh, Hsiang J; Engel, Jerome; Stern, John M

    2015-05-01

    Temporal lobe epilepsy (TLE) is often associated with progressive changes to seizures, memory, and mood during its clinical course. However, the cerebral changes related to this progression are not well understood. Because the changes may be related to changes in brain networks, we used functional connectivity MRI (fcMRI) to determine whether brain network parameters relate to the duration of TLE. Graph theory-based analysis of the sites of reported regions of TLE abnormality was performed on resting-state fMRI data in 48 subjects: 24 controls, 13 patients with left TLE, and 11 patients with right TLE. Various network parameters were analyzed including betweenness centrality (BC), clustering coefficient (CC), path length (PL), small-world index (SWI), global efficiency (GE), connectivity strength (CS), and connectivity diversity (CD). These were compared for patients with TLE as a group, compared to controls, and for patients with left and right TLE separately. The association of changes in network parameters with epilepsy duration was also evaluated. We found that CC, CS, and CD decreased in subjects with TLE compared to control subjects. Analyzed according to epilepsy duration, patients with TLE showed a progressive reduction in CD. In conclusion, we found that several network parameters decreased in patients with TLE compared to controls, which suggested reduced connectivity in TLE. Reduction in CD associated with epilepsy duration suggests a homogenization of connections over time in TLE, indicating a reduction of the normal repertoire of stronger and weaker connections to other brain regions. PMID:25873437

  10. 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.

  11. Functional Connectivity Homogeneity Correlates with Duration of Temporal Lobe Epilepsy

    PubMed Central

    Haneef, Zulfi; Chiang, Sharon; Yeh, Hsiang J.; Engel, Jerome; Stern, John M.

    2015-01-01

    Temporal lobe epilepsy (TLE) often is associated with progressive changes to seizures, memory, and mood during its clinical course. However, the cerebral changes related to this progression are not well understood. Because the changes may be related to changes in brain networks, we used functional connectivity MRI (fcMRI) to determine whether brain network parameters relate to the duration of TLE. Graph theory based analysis of the sites of reported regions of TLE abnormality, was performed on resting state fMRI data in 48 subjects: 24 controls, 13 patients with left TLE, and 11 patients with right TLE. Various network parameters were analyzed including betweenness centrality (BC), clustering coefficient (CC), path length (PL), small-world index (SWI), global efficiency (GE), connectivity strength (CS), and connectivity diversity (CD). These were compared for TLE as a group, compared to controls, and for left and right TLE separately. Association of changes in network parameters with epilepsy duration was also evaluated. We found that CC, CS and CD were decreased in TLE, compared to control subjects. Analyzed according to epilepsy duration, TLE showed a progressive reduction in CD. In conclusion, we found that several network parameters were decreased in TLE compared to controls, which suggested reduced connectivity in TLE. Reduction in CD associated with epilepsy duration suggests a homogenization of connections over time in TLE, indicating a reduction of the normal repertoire of stronger and weaker connections to other brain regions. PMID:25873437

  12. Correlation functions of XX0 Heisenberg chain, q-binomial determinants, and random walks

    NASA Astrophysics Data System (ADS)

    Bogoliubov, N. M.; Malyshev, C.

    2014-02-01

    The XX0 Heisenberg model on a cyclic chain is considered. The representation of the Bethe wave functions via the Schur functions allows to apply the well-developed theory of the symmetric functions to the calculation of the thermal correlation functions. The determinantal expressions of the form-factors and of the thermal correlation functions are obtained. The q-binomial determinants enable the connection of the form-factors with the generating functions both of boxed plane partitions and of self-avoiding lattice paths. The asymptotical behavior of the thermal correlation functions is studied in the limit of low temperature provided that the characteristic parameters of the system are large enough.

  13. The density matrix functional approach to electron correlation: dynamic and nondynamic correlation along the full dissociation coordinate.

    PubMed

    Mentel, Ł M; van Meer, R; Gritsenko, O V; Baerends, E J

    2014-06-01

    For chemistry an accurate description of bond weakening and breaking is vital. The great advantage of density matrix functionals, as opposed to density functionals, is their ability to describe such processes since they naturally cover both nondynamical and dynamical correlation. This is obvious in the Löwdin-Shull functional, the exact natural orbital functional for two-electron systems. We present in this paper extensions of this functional for the breaking of a single electron pair bond in N-electron molecules, using LiH, BeH(+), and Li2 molecules as prototypes. Attention is given to the proper formulation of the functional in terms of not just J and K integrals but also the two-electron L integrals (K integrals with a different distribution of the complex conjugation of the orbitals), which is crucial for the calculation of response functions. Accurate energy curves are obtained with extended Löwdin-Shull functionals along the complete dissociation coordinate using full CI calculations as benchmark. PMID:24907988

  14. The density matrix functional approach to electron correlation: Dynamic and nondynamic correlation along the full dissociation coordinate

    NASA Astrophysics Data System (ADS)

    Mentel, Ł. M.; van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

    2014-06-01

    For chemistry an accurate description of bond weakening and breaking is vital. The great advantage of density matrix functionals, as opposed to density functionals, is their ability to describe such processes since they naturally cover both nondynamical and dynamical correlation. This is obvious in the Löwdin-Shull functional, the exact natural orbital functional for two-electron systems. We present in this paper extensions of this functional for the breaking of a single electron pair bond in N-electron molecules, using LiH, BeH+, and Li2 molecules as prototypes. Attention is given to the proper formulation of the functional in terms of not just J and K integrals but also the two-electron L integrals (K integrals with a different distribution of the complex conjugation of the orbitals), which is crucial for the calculation of response functions. Accurate energy curves are obtained with extended Löwdin-Shull functionals along the complete dissociation coordinate using full CI calculations as benchmark.

  15. The density matrix functional approach to electron correlation: Dynamic and nondynamic correlation along the full dissociation coordinate

    SciTech Connect

    Mentel, Ł. M.; Meer, R. van; Gritsenko, O. V.; Baerends, E. J.

    2014-06-07

    For chemistry an accurate description of bond weakening and breaking is vital. The great advantage of density matrix functionals, as opposed to density functionals, is their ability to describe such processes since they naturally cover both nondynamical and dynamical correlation. This is obvious in the Löwdin-Shull functional, the exact natural orbital functional for two-electron systems. We present in this paper extensions of this functional for the breaking of a single electron pair bond in N-electron molecules, using LiH, BeH{sup +}, and Li{sub 2} molecules as prototypes. Attention is given to the proper formulation of the functional in terms of not just J and K integrals but also the two-electron L integrals (K integrals with a different distribution of the complex conjugation of the orbitals), which is crucial for the calculation of response functions. Accurate energy curves are obtained with extended Löwdin-Shull functionals along the complete dissociation coordinate using full CI calculations as benchmark.

  16. Jump of the minimal site and a new correlation function in the Bak-Sneppen model

    NASA Astrophysics Data System (ADS)

    Yang, C. B.; Cai, X.

    2001-08-01

    A new type of spatio-temporal correlation function for the process approaching the self-organized criticality is investigated within the Bak-Sneppen model for biological evolution. In terms of the ``directional shorter distance'' between the two sites with minimum fitness at two successive updates, the correlation function is defined and studied numerically for the nearest- and random-neighbor versions of the model. Qualitatively different behaviors of the jump of the minimal site in the two models are presented, and the behaviors of the correlation functions are shown also different.

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    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.

  18. Analysis of the intensity correlation functions of gas ring lasers with backscattering

    NASA Astrophysics Data System (ADS)

    Pesquera, L.; Blanco, R.

    1989-12-01

    It is shown that in an inhomogeneously broadened ring laser without detuning symmetric backscattering induces damped harmonic oscillations in the auto- and cross-correlation functions of the two-mode light intensities. The exact value of the oscillation frequency is derived. When the complex backscattering coefficients, R1, R2, satisfy the condition R1 + R2(asterisk) = 0 (off-phase backcoupling), the relaxation time of the correlation functions above threshold is obtained. The oscillations of the correlation functions are shown to decay more and more slowly as pump parameter increases. The results are in good agreement with the experimental data.

  19. Correlation functions of the energy-momentum tensor in SU(2) gauge theory at finite temperature

    SciTech Connect

    Huebner, K.; Pica, C.; Karsch, F.

    2008-11-01

    We calculate correlation functions of the energy-momentum tensor in the vicinity of the deconfinement phase transition of (3+1)-dimensional SU(2) gauge theory and discuss their critical behavior in the vicinity of the second order deconfinement transition. We show that correlation functions of the trace of the energy-momentum tensor diverge uniformly at the critical point in proportion to the specific heat singularity. Correlation functions of the pressure, on the other hand, stay finite at the critical point. We discuss the consequences of these findings for the analysis of transport coefficients, in particular, the bulk viscosity, in the vicinity of a second order phase transition point.

  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. Studies in astronomical time series analysis. III - Fourier transforms, autocorrelation functions, and cross-correlation functions of unevenly spaced data

    NASA Technical Reports Server (NTRS)

    Scargle, Jeffrey D.

    1989-01-01

    This paper develops techniques to evaluate the discrete Fourier transform (DFT), the autocorrelation function (ACF), and the cross-correlation function (CCF) of time series which are not evenly sampled. The series may consist of quantized point data (e.g., yes/no processes such as photon arrival). The DFT, which can be inverted to recover the original data and the sampling, is used to compute correlation functions by means of a procedure which is effectively, but not explicitly, an interpolation. The CCF can be computed for two time series not even sampled at the same set of times. Techniques for removing the distortion of the correlation functions caused by the sampling, determining the value of a constant component to the data, and treating unequally weighted data are also discussed. FORTRAN code for the Fourier transform algorithm and numerical examples of the techniques are given.

  2. Mapping the current-current correlation function near a quantum critical point

    NASA Astrophysics Data System (ADS)

    Prodan, Emil; Bellissard, Jean

    2016-05-01

    The current-current correlation function is a useful concept in the theory of electron transport in homogeneous solids. The finite-temperature conductivity tensor as well as Anderson's localization length can be computed entirely from this correlation function. Based on the critical behavior of these two physical quantities near the plateau-insulator or plateau-plateau transitions in the integer quantum Hall effect, we derive an asymptotic formula for the current-current correlation function, which enables us to make several theoretical predictions about its generic behavior. For the disordered Hofstadter model, we employ numerical simulations to map the current-current correlation function, obtain its asymptotic form near a critical point and confirm the theoretical predictions.

  3. 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

  4. 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…

  5. 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,…

  6. A model for the two-point velocity correlation function in turbulent channel flow

    SciTech Connect

    Sahay, A.; Sreenivasan, K.R.

    1996-06-01

    A relatively simple analytical expression is presented to approximate the equal-time, two-point, double-velocity correlation function in turbulent channel flow. To assess the accuracy of the model, we perform the spectral decomposition of the integral operator having the model correlation function as its kernel. Comparisons of the empirical eigenvalues and eigenfunctions with those constructed from direct numerical simulations data show good agreement. {copyright} {ital 1996 American Institute of Physics.}

  7. Bond Functions and Core Correlation Energy Contributions To HeBe Potential

    NASA Astrophysics Data System (ADS)

    Shalabi, A. S.; Nour, E. M.; Abdel Halim, W. S.

    An empirical scheme for implementation of bond functions in heteronuclear diatomics is suggested and applied to HeBe using universal even-tempered functions. The effects of bond functions and core-correlation energy on the interaction potential of HeBe calculated at the uncorrelated (SCF) and correlated (MBPT and CC) levels are examined. The results confirm that an accuracy of sub μ Hartree level can be obtained using even-tempered functions with s-, p-, and d- symmetry and that bond functions of size {4s2p} for He and {6s3p} for Be recovers 100% of energy lowering obtained from the addition of 10d atom-centered functions to He and 13d atom centred functions to Be. The various treatments of the electron correlation, conclude that the system is interacting weakly with a well depth from 14.5-24.7 μEh at a separation near 9.1a0 compared with 20.7-25.5 μEh previously reported with a rather limited basis set. The most reliable well depth corrected for BSSE (19.0 μEh) was obtained at the CC-SD(T)level at separation of 8.71a0 taking into account the effects of bond functions and core correlation energy. Potential energy curves at the CC-SD(T) valence and CC-SD(T) valence + core correlation levels are analyzed in analytical forms in terms of exchange repulsion, induction and dispersion components.

  8. Entanglement patterns and generalized correlation functions in quantum many-body systems

    NASA Astrophysics Data System (ADS)

    Barcza, G.; Noack, R. M.; Sólyom, J.; Legeza, Ö.

    2015-09-01

    We introduce transition operators that in a given basis of the single-site states of a many-body system have a single nonvanishing matrix element and introduce their correlation functions. We show that they fall into groups that decay with the same rate. The mutual information defined in terms of the von Neumann entropy between two sites is given in terms of these so-called generalized correlation functions. We confirm numerically that the long-distance decay of the mutual information follows the square of that of the most slowly decaying generalized correlation function. The main advantage of our procedure is that, in order to identify the most relevant physical processes, there is no need to know a priori the nature of the ordering in the system, i.e., no need to explicitly construct particular physical correlation functions. We explore the behavior of the mutual information and the generalized correlation functions for comformally invariant models and for the SU(n ) Hubbard model with n =2 ,3 ,4 , and 5, which are, in general, not conformally invariant. In this latter case, we show that for filling f =1 /q and q correlation functions to the n -site case.

  9. 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.

  10. 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.

  11. 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.

  12. S-pairing in neutron matter: I. Correlated basis function theory

    NASA Astrophysics Data System (ADS)

    Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.

    2008-05-01

    S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v and Argonne v) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions.

  13. 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.

  14. Predictive classification of correlated targets with application to detection of metastatic cancer using functional CT imaging.

    PubMed

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

    2015-09-01

    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 article, 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

  15. 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.

  16. Quantifying the connectivity of a network: The network correlation function method

    NASA Astrophysics Data System (ADS)

    Barzel, Baruch; Biham, Ofer

    2009-10-01

    Networks are useful for describing systems of interacting objects, where the nodes represent the objects and the edges represent the interactions between them. The applications include chemical and metabolic systems, food webs as well as social networks. Lately, it was found that many of these networks display some common topological features, such as high clustering, small average path length (small-world networks), and a power-law degree distribution (scale-free networks). The topological features of a network are commonly related to the network’s functionality. However, the topology alone does not account for the nature of the interactions in the network and their strength. Here, we present a method for evaluating the correlations between pairs of nodes in the network. These correlations depend both on the topology and on the functionality of the network. A network with high connectivity displays strong correlations between its interacting nodes and thus features small-world functionality. We quantify the correlations between all pairs of nodes in the network, and express them as matrix elements in the correlation matrix. From this information, one can plot the correlation function for the network and to extract the correlation length. The connectivity of a network is then defined as the ratio between this correlation length and the average path length of the network. Using this method, we distinguish between a topological small world and a functional small world, where the latter is characterized by long-range correlations and high connectivity. Clearly, networks that share the same topology may have different connectivities, based on the nature and strength of their interactions. The method is demonstrated on metabolic networks, but can be readily generalized to other types of networks.

  17. 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.

  18. Correlation functions as a tool for protein modeling and structure analysis.

    PubMed Central

    Böhm, G.; Jaenicke, R.

    1992-01-01

    Proteins present unique folding structures whose conformations are determined primarily by their amino acid sequences. At present, there is no algorithm that would correlate the sequences with the structures determined by X-ray analysis or NMR. Comparative modeling of a new protein sequence based on the known structure of a functionally related protein promises to yield model structures that may provide relevant properties of the protein. To analyze the quality of a model structure, a set of correlation functions was derived from calculations on a subset of proteins from the structure database. Twenty-three highly resolved protein structures with resolutions of at least 1.7 A from various protein families were used as the primary database. The purpose of this initial work was to find highly sensitive functions (including statistical error limits for the parameters) that describe properties of "real" proteins. Each correlation described is characterized by the correlation coefficient, the parameters for linear or nonlinear regression (coefficients of the equation), standard deviation and variance, and the confidence limits describing the statistical probability for values to occur within these limits, e.g., the natural variability of the property under examination. In addition, a method was developed for creating reasonably misfolded proteins. The ability of a correlation function to discriminate between the native structure and the misfolded conformations is expressed by the reliability index, which indicates the sensitivity of a correlation function. The term correlation functions thus summarizes a variety of efforts to find a mathematical description for the properties of protein structures, for their correlation, and for their significance. PMID:1303745

  19. 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.

  20. 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…

  1. Systematic phenotyping and correlation of biomarkers with lung function and histology in lung fibrosis.

    PubMed

    Fernandez, Isis E; Amarie, Oana V; Mutze, Kathrin; Königshoff, Melanie; Yildirim, Ali Önder; Eickelberg, Oliver

    2016-05-15

    To date, phenotyping and disease course prediction in idiopathic pulmonary fibrosis (IPF) primarily relies on lung function measures. Blood biomarkers were recently proposed for diagnostic and outcome prediction in IPF, yet their correlation with lung function and histology remains unclear. Here, we comprehensively assessed biomarkers in liquid biopsies and correlated their abundance with lung function and histology during the onset, progression, and resolution of lung fibrosis, with the aim to more precisely evaluate disease progression in the preclinical model of bleomycin-induced pulmonary fibrosis in vivo. Importantly, the strongest correlation of lung function with histological extent of fibrosis was observed at day 14, whereas lung function was unchanged at days 28 and 56, even when histological assessment showed marked fibrotic lesions. Although matrix metalloproteinase-7 (MMP-7), MMP-9, and PAI-1 were significantly elevated in broncheoalveolar lavage of fibrotic mice, only soluble ICAM-1 (sICAM-1) was elevated in the peripheral blood of fibrotic mice and was strongly correlated with the extent of fibrosis. Importantly, tissue-bound ICAM-1 was also elevated in lung homogenates, with prominent staining in hyperplastic type II alveolar epithelial and endothelial cells. In summary, we show that lung function decline is not a prerequisite for histologically evident fibrosis, particularly during the onset or resolution thereof. Plasma levels of sICAM-1 strongly correlate with the extent of lung fibrosis, and may thus be considered for the assessment of intraindividual therapeutic studies in preclinical studies of pulmonary fibrosis. PMID:26993522

  2. Decay of Determinantal and Pfaffian Correlation Functionals in One-Dimensional Lattices

    NASA Astrophysics Data System (ADS)

    Sims, Robert; Warzel, Simone

    2016-03-01

    We establish bounds on the decay of time-dependent multipoint correlation functionals of one-dimensional quasi-free fermions in terms of the decay properties of their two-point function. At a technical level, this is done with the help of bounds on certain bordered determinants and pfaffians. These bounds, which we prove, go beyond the well-known Hadamard estimates. Our main application of these results is a proof of strong (exponential) dynamical localization of spin-correlation functions in disordered XY-spin chains.

  3. Determinant Representation for Dynamical Correlation Functions of the Quantum Nonlinear Schrödinger Equation

    NASA Astrophysics Data System (ADS)

    Kojima, T.; Korepin, V. E.; Slavnov, N. A.

    Painlevé analysis of correlation functions of the impenetrable Bose gas by M. Jimbo, T. Miwa, Y. Mori and M. Sato [1] was based on the determinant representation of these correlation functions obtained by A. Lenard [2]. The impenetrable Bose gas is the free fermionic case of the quantum nonlinear Schrödinger equation. In this paper we generalize the Lenard determinant representation for ψ (0,0)ψ (x,t)> to the non-free fermionic case. We also include time and temeprature dependence. In forthcoming publications we shall perform the JMMS analysis of this correlationl function. This will give us a completely integrable equation and asymptotic for the quantum correlation function of interacting fermions.

  4. 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.

  5. 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.

  6. Molecular tests of the random phase approximation to the exchange-correlation energy functional

    NASA Astrophysics Data System (ADS)

    Furche, Filipp

    2001-11-01

    The exchange-correlation energy functional within the random phase approximation (RPA) is recast into an explicitly orbital-dependent form. A method to evaluate the functional in finite basis sets is introduced. The basis set dependence of the RPA correlation energy is analyzed. Extrapolation using large, correlation-consistent basis sets is essential for accurate estimates of RPA correlation energies. The potential energy curve of N2 is discussed. The RPA is found to recover most of the strong static correlation at large bond distance. Atomization energies of main-group molecules are rather uniformly underestimated by the RPA. The method performs better than generalized-gradient-type approximations (GGA's) only for some electron-rich systems. However, the RPA functional is free of error cancellation between exchange and correlation, and behaves qualitatively correct in the high-density limit, as is demonstrated by the coupling strength decomposition of the atomization energy of F2. The GGA short-range correlation correction to the RPA by Yan, Perdew, and Kurth [Phys. Rev. B 61, 16 430 (2000)] does not seem to improve atomization energies consistently.

  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

    NASA Astrophysics Data System (ADS)

    Svenšek, Daniel; Podgornik, Rudolf

    2015-09-01

    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. Robustness of the Quadratic Discriminant Function to correlated and uncorrelated normal training samples.

    PubMed

    Adebanji, Atinuke; Asamoah-Boaheng, Michael; Osei-Tutu, Olivia

    2016-01-01

    This study investigates the asymptotic performance of the Quadratic Discriminant Function (QDF) under correlated and uncorrelated normal training samples. This paper specifically examines the effect of correlation, uncorrelation considering different sample size ratios, number of variables and varying group centroid separators ([Formula: see text], [Formula: see text]) on classification accuracy of the QDF using simulated data from three populations ([Formula: see text]). The three populations differs with respect to their mean vector and covariance matrices. The results show the correlated normal distribution exhibits high coefficient of variation as [Formula: see text] increased. The QDF performed better when the training samples were correlated than when they were under uncorrelated normal distribution. The QDF performed better resulting in the reduction in misclassification error rates as group centroid separator increases with non increasing sample size under correlated training samples. PMID:26877900

  10. 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

  11. 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.

  12. Two-particle correlations in high-energy collisions and the gluon four-point function

    SciTech Connect

    Dumitru, Adrian; Jalilian-Marian, Jamal

    2010-05-01

    We derive the rapidity evolution equation for the gluon four-point function in the dilute regime and at small x from the JIMWLK functional equation. We show that beyond leading order in N{sub c} the mean field (Gaussian) approximation where the four-point function is factorized into a product of two-point functions is violated. We calculate these factorization breaking terms and show that they contribute at leading order in N{sub c} to correlations of two produced gluons as a function of their relative rapidity and azimuthal angle, for generic (rather than back-to-back) angles. Such two-particle correlations have been studied experimentally at the BNL-RHIC collider and could be scrutinized also for pp (and, in the future, also AA) collisions at the CERN-LHC accelerator.

  13. The use of copula functions for predictive analysis of correlations between extreme storm tides

    NASA Astrophysics Data System (ADS)

    Domino, Krzysztof; Błachowicz, Tomasz; Ciupak, Maurycy

    2014-11-01

    In this paper we present a method used in quantitative description of weakly predictable hydrological, extreme events at inland sea. Investigations for correlations between variations of individual measuring points, employing combined statistical methods, were carried out. As a main tool for this analysis we used a two-dimensional copula function sensitive for correlated extreme effects. Additionally, a new proposed methodology, based on Detrended Fluctuations Analysis (DFA) and Anomalous Diffusion (AD), was used for the prediction of negative and positive auto-correlations and associated optimum choice of copula functions. As a practical example we analysed maximum storm tides data recorded at five spatially separated places at the Baltic Sea. For the analysis we used Gumbel, Clayton, and Frank copula functions and introduced the reversed Clayton copula. The application of our research model is associated with modelling the risk of high storm tides and possible storm flooding.

  14. 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.

  15. 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.

  16. Sample-to-sample variations and biases in estimates of two-point correlation functions

    NASA Astrophysics Data System (ADS)

    Itoh, Makoto; Suginohara, Tatsushi; Suto, Yasushi

    1992-10-01

    A quantitative estimate of the sample-to-sample variations of two-point correlation functions was obtained by extracting subsamples from N-body simulation data, and the extent to which these subsamples reproduce the correlation functions estimated from the entire data was examined. The method used was more direct than that used in the studies of Barrow et al. (1984) and Ling et al. (1986): rather than estimating the variations of the correlation functions from pseudosamples which were created from single data sets as has been done in the previous investigations, several independent ensembles with different geometries were created in the present study. Thus, the problem was assessed more quantitatively and precisely.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. On the universality of the two-point galaxy correlation function

    NASA Technical Reports Server (NTRS)

    Davis, Marc; Meiksin, Avery; Strauss, Michael A.; Da Costa, L. Nicolaci; Yahil, Amos

    1988-01-01

    The behavior of the two-point galaxy correlation function in volume-limited subsamples of three complete redshift surveys is investigated. The correlation length is shown to scale approximately as the square root of the distance limit in both the CfA and Southern Sky catalogs, but to be independent of the distance limit in the IRAS sample. This effect is found to be due to factors such as the large positive density fluctuations in the foreground of the optically selected catalogs biasing the correlation length estimate downward, and the brightest galaxies appearing to be more strongly clustered than the mean.

  2. Visualizing functional pathways in the human brain using correlation tensors and magnetic resonance imaging.

    PubMed

    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

  3. 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

  4. Functional Connectivity of Brain Structures Correlates with Treatment Outcome in Major Depressive Disorder

    PubMed Central

    Kozel, F. Andrew; Rao, Uma; Lu, Hanzhang; Nakonezny, Paul A.; Grannemann, Bruce; McGregor, Tamara; Croarkin, Paul E.; Mapes, Kimberly S.; Tamminga, Carol A.; Trivedi, Madhukar H.

    2011-01-01

    Identifying biosignatures to assess the probability of response to an antidepressant for patients with major depressive disorder (MDD) is critically needed. Functional connectivity MRI (fcMRI) offers the promise to provide such a measure. Previous work with fcMRI demonstrated that the correlation in signal from one region to another is a measure of functional connectivity. In this pilot work, a baseline non-task fcMRI was acquired in 14 adults with MDD who were free of all medications. Participants were then treated for 8 weeks with an antidepressant and then clinically re-evaluated. Probabilistic anatomic regions of interest (ROI) were defined for 16 brain regions (eight for each hemisphere) previously identified as being important in mood disorders. These ROIs were used to determine mean time courses for each individual's baseline non-task fcMRI. The correlations in time courses between 16 brain regions were calculated. These calculated correlations were considered to signify measures of functional connectivity. The degree of connectivity for each participant was correlated with treatment outcome. Among 13 participants with 8 weeks follow-up data, connectivity measures in several regions, especially the subcallosal cortex, were highly correlated with treatment outcome. These connectivity measures could provide a means to evaluate how likely a patient is to respond to an antidepressant treatment. Further work using larger samples is required to confirm these findings and to assess if measures of functional connectivity can be used to predict differential outcomes between antidepressant treatments. PMID:21556277

  5. 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

  6. 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

  7. 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

  8. A phase-space approach for propagating field-field correlation functions

    NASA Astrophysics Data System (ADS)

    Gradoni, Gabriele; Creagh, Stephen C.; Tanner, Gregor; Smartt, Christopher; Thomas, David W. P.

    2015-09-01

    We show that radiation from complex and inherently random but correlated wave sources can be modelled efficiently by using an approach based on the Wigner distribution function. Our method exploits the connection between correlation functions and the Wigner function and admits in its simplest approximation a direct representation in terms of the evolution of ray densities in phase space. We show that next leading order corrections to the ray-tracing approximation lead to Airy-function type phase space propagators. By exploiting the exact Wigner function propagator, inherently wave-like effects such as evanescent decay or radiation from more heterogeneous sources as well as diffraction and reflection can be included and analysed. We discuss in particular the role of evanescent waves in the near-field of non-paraxial sources and give explicit expressions for the growth rate of the correlation length as a function of the distance from the source. The approximations are validated using full-wave simulations of model sources. In particular, results for the reflection of partially coherent sources from flat mirrors are given where the influence of Airy function corrections can be demonstrated. We focus here on electromagnetic sources at microwave frequencies and modelling efforts in the context of electromagnetic compatibility.

  9. Correlation of Apical Fluid-Regulating Channel Proteins with Lung Function in Human COPD Lungs

    PubMed Central

    Zhao, Meimi; Liu, Shan-Lu; Huang, Yao; Idell, Steven; Li, Xiumin; Ji, Hong-Long

    2014-01-01

    Links between epithelial ion channels and chronic obstructive pulmonary diseases (COPD) are emerging through animal model and in vitro studies. However, clinical correlations between fluid-regulating channel proteins and lung function in COPD remain to be elucidated. To quantitatively measure epithelial sodium channels (ENaC), cystic fibrosis transmembrane conductance regulator (CFTR), and aquaporin 5 (AQP5) proteins in human COPD lungs and to analyze the correlation with declining lung function, quantitative western blots were used. Spearman tests were performed to identify correlations between channel proteins and lung function. The expression of α and β ENaC subunits was augmented and inversely associated with lung function. In contrast, both total and alveolar type I (ATI) and II (ATII)-specific CFTR proteins were reduced. The expression level of CFTR proteins was associated with FEV1 positively. Abundance of AQP5 proteins and extracellular superoxide dismutase (SOD3) was decreased and correlated with spirometry test results and gas exchange positively. Furthermore, these channel proteins were significantly associated with severity of disease. Our study demonstrates that expression of ENaC, AQP5, and CFTR proteins in human COPD lungs is quantitatively associated with lung function and severity of COPD. These apically located fluid-regulating channels may thereby serve as biomarkers and potent druggable targets of COPD. PMID:25329998

  10. 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

  11. 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.

  12. 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

  13. Mitigating systematic errors in angular correlation function measurements from wide field surveys

    NASA Astrophysics Data System (ADS)

    Morrison, C. B.; Hildebrandt, H.

    2015-12-01

    We present an investigation into the effects of survey systematics such as varying depth, point spread function size, and extinction on the galaxy selection and correlation in photometric, multi-epoch, wide area surveys. We take the Canada-France-Hawaii Telescope Lensing Survey (CFHTLenS) as an example. Variations in galaxy selection due to systematics are found to cause density fluctuations of up to 10 per cent for some small fraction of the area for most galaxy redshift slices and as much as 50 per cent for some extreme cases of faint high-redshift samples. This results in correlations of galaxies against survey systematics of order ˜1 per cent when averaged over the survey area. We present an empirical method for mitigating these systematic correlations from measurements of angular correlation functions using weighted random points. These weighted random catalogues are estimated from the observed galaxy overdensities by mapping these to survey parameters. We are able to model and mitigate the effect of systematic correlations allowing for non-linear dependences of density on systematics. Applied to CFHTLenS, we find that the method reduces spurious correlations in the data by a factor of 2 for most galaxy samples and as much as an order of magnitude in others. Such a treatment is particularly important for an unbiased estimation of very small correlation signals, as e.g. from weak gravitational lensing magnification bias. We impose a criterion for using a galaxy sample in a magnification measurement of the majority of the systematic correlations show improvement and are less than 10 per cent of the expected magnification signal when combined in the galaxy cross-correlation. After correction the galaxy samples in CFHTLenS satisfy this criterion for zphot < 0.9 and will be used in a future analysis of magnification.

  14. Triplet correlation functions in the Lennard-Jones fluid: Tests against molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    McNeil, William J.; Madden, William G.; Haymet, A. D. J.; Rice, Stuart A.

    1983-01-01

    A recent theory of Haymet, Rice, and Madden (HRM) for the pair and triplet correlation functions is tested at liquid state densities against new molecular dynamics results for the Lennard-Jones (12,6) fluid. The HRM integral equation, based on the Born-Green equation and a topological reduction of the diagrammatic expansion of the triplet correlation function, has been solved for a high temperature state (T*=2.74, ρ*=0.80) and is found to give triplet correlation functions in good agreement with the molecular dynamics results. For a lower-temperature state (T*=0.73, ρ*=0.85), where numerical difficulties have thus far frustrated attempts to obtain a self-consistent solution of the HRM integral equation, direct tests of the HRM closure are made using molecular dynamics pair correlation functions to evaluate the diagrams. Although some striking qualitative features of the triplet correlations are correctly described by the HRM closure for this low-temperature state, the HRM approach is not in quantitative agreement with the molecular dynamics results. Test calculations indicate that the principle source of these errors is the neglect of important higher-order diagrams for the triplet correlation function. A reorganization of the diagrammatic series is suggested which may identify the most important of these neglected diagrams. Additional computer simulation results are also reported for the purely repulsive Weeks-Chandler-Andersen (WCA) ``reference'' fluid and for the underlying hard sphere fluid. The similarity of the pair structures of these fluids, noted by WCA, is also found to hold with high accuracy for the triplet structures. It is suggested that these similarities may be exploited in applying the methods of HRM to the hard sphere fluid.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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. PMID:26374017

  20. Choosing a proper exchange-correlation functional for the computational catalysis on surface.

    PubMed

    Teng, Bo-Tao; Wen, Xiao-Dong; Fan, Maohong; Wu, Feng-Min; Zhang, Yulong

    2014-09-14

    To choose a proper functional among the diverse density functional approximations of the electronic exchange-correlation energy for a given system is the basis for obtaining accurate results of theoretical calculations. In this work, we first propose an approach by comparing the calculated ΔE0 with the theoretical reference data based on the corresponding experimental results in a gas phase reaction. With ΔE0 being a criterion, the three most typical and popular exchange-correlation functionals (PW91, PBE and RPBE) were systematically compared in terms of the typical Fischer-Tropsch synthesis reactions in the gas phase. In addition, verifications of the geometrical and electronic properties of modeling catalysts, as well as the adsorption behavior of a typical probe molecule on modeling catalysts are also suggested for further screening of proper functionals. After a systematic comparison of CO adsorption behavior on Co(0001) calculated by PW91, PBE, and RPBE, the RPBE functional was found to be better than the other two in view of FTS reactions in gas phase and CO adsorption behaviors on a cobalt surface. The present work shows the general implications for choosing a reliable exchange-correlation functional in the computational catalysis of a surface. PMID:25072632

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    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.

  2. Order parameter, correlation functions, and fidelity susceptibility for the BCS model in the thermodynamic limit

    NASA Astrophysics Data System (ADS)

    El Araby, Omar; Baeriswyl, Dionys

    2014-04-01

    The exact ground state of the reduced BCS Hamiltonian is investigated numerically for large system sizes and compared with the BCS ansatz. A "canonical" order parameter is found to be equal to the largest eigenvalue of Yang's reduced density matrix in the thermodynamic limit. Moreover, the limiting values of the exact analysis agree with those obtained for the BCS ground state. Exact results for the ground-state energy, level occupations, and a pseudospin-pseudospin correlation function are also found to converge to the BCS values already for relatively small system sizes. However, discrepancies persist for a pair-pair correlation function, for interlevel correlations of occupancies and for the fidelity susceptibility, even for large system sizes where these quantities have visibly converged to well-defined limits. Our results indicate that there exist nonperturbative corrections to the BCS predictions in the thermodynamic limit.

  3. Clustering of ROSAT All-Sky Survey AGNs Through Cross-Correlation Functions

    NASA Astrophysics Data System (ADS)

    Krumpe, Mirko; Miyaji, Takamitsu; Coil, Alison

    2010-07-01

    We investigate the clustering propertiesof ~1550 low-redshift broad-line AGNs detected in the ROSAT All-Sky Survey (RASS) through a cross-correlation function (CCF) with ~46000 Luminous Red Galaxies (LRGs) in the Sloan Digital Sky Survey (SDSS). Using this approach, we avoid small-number statistics and systematic errors caused by the variation of the Galactic absorption compared to a direct measurement of the AGN auto-correlation function (ACF). We compute the ACF of low-z RASS-AGN based on the CCF for the total X-ray sample ( = 0.25) and found a correlation length of r0 = 4.3-0.4+0.4 h-1 Mpc. Furthermore, we discovered an X-ray luminosity dependence of the clustering signal, i.e. high luminosity AGN cluster stronger than low luminosity AGN. We have also applied a Halo Occupation Distribution (HOD) model directly to our AGN-LRG CCF.

  4. Alternative separation of exchange and correlation in density-functional theory.

    SciTech Connect

    Armiento, Rickard Roberto (Royal Institute of Technology, AlbaNova University Center, Stockholm, Sweden); Mattsson, Ann Elisabet

    2003-02-01

    It has recently been shown that local values of the conventional exchange energy per particle cannot be described by an analytic expansion in the density variation. Yet, it is known that the total exchange-correlation (XC) energy per particle does not show any corresponding nonanalyticity. Indeed, the nonanalyticity is here shown to be an effect of the separation into conventional exchange and correlation. We construct an alternative separation in which the exchange part is made well behaved by screening its long-ranged contributions, and the correlation part is adjusted accordingly. This alternative separation is as valid as the conventional one, and introduces no new approximations to the total XC energy. We demonstrate functional development based on this approach by creating and deploying a local-density-approximation-type XC functional. Hence, this work includes both the theory and the practical calculations needed to provide a starting point for an alternative approach towards improved approximations of the total XC energy.

  5. 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.

  6. 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.

  7. Neural Correlates of Associative Memory in the Elderly: A Resting-State Functional MRI Study

    PubMed Central

    Ren, Weicong; Li, Rui; Zheng, Zhiwei; Li, Juan

    2015-01-01

    The neural correlates of associative memory in healthy older adults were investigated by examining the correlation of associative memory performance with spontaneous brain oscillations. Eighty healthy older adults underwent a resting-state functional MRI and took a paired-associative learning test (PALT). Correlations between the amplitude of low-frequency fluctuations (ALFF) as well as fractional ALFF (fALFF) in the whole brain and PALT scores were calculated. We found that spontaneous activity as indexed by both ALFF and fALFF in the parahippocampal gyrus (PHG) was significantly positively correlated with associative memory performance, suggesting that the PHG plays a critical role in associative memory in older people. PMID:26180778

  8. 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

  9. Efficient implementation of the rank correlation merit function for 2D/3D registration.

    PubMed

    Figl, M; Bloch, C; Gendrin, C; Weber, C; Pawiro, S A; Hummel, J; Markelj, P; Pernus, F; Bergmann, H; Birkfellner, W

    2010-10-01

    A growing number of clinical applications using 2D/3D registration have been presented recently. Usually, a digitally reconstructed radiograph is compared iteratively to an x-ray image of the known projection geometry until a match is achieved, thus providing six degrees of freedom of rigid motion which can be used for patient setup in image-guided radiation therapy or computer-assisted interventions. Recently, stochastic rank correlation, a merit function based on Spearman's rank correlation coefficient, was presented as a merit function especially suitable for 2D/3D registration. The advantage of this measure is its robustness against variations in image histogram content and its wide convergence range. The considerable computational expense of computing an ordered rank list is avoided here by comparing randomly chosen subsets of the DRR and reference x-ray. In this work, we show that it is possible to omit the sorting step and to compute the rank correlation coefficient of the full image content as fast as conventional merit functions. Our evaluation of a well-calibrated cadaver phantom also confirms that rank correlation-type merit functions give the most accurate results if large differences in the histogram content for the DRR and the x-ray image are present. PMID:20844334

  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. Many-electron expansion: A density functional hierarchy for strongly correlated systems

    NASA Astrophysics Data System (ADS)

    Zhu, Tianyu; de Silva, Piotr; van Aggelen, Helen; Van Voorhis, Troy

    2016-05-01

    Density functional theory (DFT) is the de facto method for the electronic structure of weakly correlated systems. But for strongly correlated materials, common density functional approximations break down. Here, we derive a many-electron expansion (MEE) in DFT that accounts for successive one-, two-, three-, ... particle interactions within the system. To compute the correction terms, the density is first decomposed into a sum of localized, nodeless one-electron densities (ρi). These one-electron densities are used to construct relevant two- (ρi+ρj ), three- (ρi+ρj+ρk ), ... electron densities. Numerically exact results for these few-particle densities can then be used to correct an approximate density functional via any of several many-body expansions. We show that the resulting hierarchy gives accurate results for several important model systems: the Hubbard and Peierls-Hubbard models in 1D and the pure Hubbard model in 2D. We further show that the method is numerically convergent for strongly correlated systems: applying successively higher order corrections leads to systematic improvement of the results. MEE thus provides a hierarchy of density functional approximations that applies to both weakly and strongly correlated systems.

  12. 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.

  13. Integrating Functional Neuroimaging and Human Operant Research: Brain Activation Correlated with Presentation of Discriminative Stimuli

    ERIC Educational Resources Information Center

    Schlund, Michael W.; Cataldo, Michael F.

    2005-01-01

    Results of numerous human imaging studies and nonhuman neurophysiological studies on "reward" highlight a role for frontal, striatal, and thalamic regions in operant learning. By integrating operant and functional neuroimaging methodologies, the present investigation examined brain activation to two types of discriminative stimuli correlated with…

  14. 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…

  15. 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)

  16. Matrix elements of explicitly correlated Gaussian basis functions with arbitrary angular momentum

    NASA Astrophysics Data System (ADS)

    Joyce, Tennesse; Varga, Kálmán

    2016-05-01

    A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with arbitrary angular momentum is presented. The calculations are checked on several excited states of three and four electron systems. The presented formalism can be used as unified framework for high accuracy calculations of properties of small atoms and molecules.

  17. Approach to the glass transition studied by higher order correlation functions

    NASA Astrophysics Data System (ADS)

    Lacevic, N.; Glotzer, S. C.

    2003-08-01

    We present a theoretical framework based on a higher order density correlation function, analogous to that used to investigate spin glasses, to describe dynamical heterogeneities in simulated glass-forming liquids. These higher order correlation functions are a four-point, time-dependent density correlation function g4(r,t) and a corresponding 'structure factor' S4(q,t) which measure the spatial correlations between the local liquid density at two points in space, each at two different times. g4(r,t) and S4(q,t) were extensively studied via molecular dynamics simulations of a binary Lennard-Jones mixture approaching the mode coupling temperature from above in Franz et al (1999 Phil. Mag. B 79 1827), Donati et al (2002 J. Non-Cryst. Solids 307 215), Glotzer et al (2000 J. Chem. Phys. 112 509), Lacevic et al (2002 Phys. Rev. E 66 030101), Lacevic et al (2003 J. Chem. Phys. submitted) and Lacevic (2003 Dissertation The Johns Hopkins University). Here, we examine the contribution to g4(r,t), S4(q,t) and the corresponding dynamical correlation length, as well as the corresponding order parameter Q(t) and generalized susceptibility chi4(t), from localized particles. We show that the dynamical correlation length xi4SS(t) of localized particles has a maximum as a function of time t, and the value of the maximum of xi4SS(t) increases steadily in the temperature range approaching the mode coupling temperature from above.

  18. 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

  19. 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

  20. 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.

  1. 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.

  2. Measuring the Mathematical Attitudes of Elementary Students: The Effects of a 4-Point or 5-Point Likert-Type Scale

    ERIC Educational Resources Information Center

    Adelson, Jill L.; McCoach, D. Betsy

    2010-01-01

    The purpose of this study was to compare how students in Grades 3 to 6 respond to a mathematics attitudes instrument with a 4-point Likert-type scale compared with one with an additional neutral point (a 5-point Likert-type scale). The 606 participating students from six elementary and middle schools randomly received either the 4-point or 5-point…

  3. Functional correlates of the therapeutic and adverse effects evoked by thalamic stimulation for essential tremor.

    PubMed

    Gibson, William S; Jo, Hang Joon; Testini, Paola; Cho, Shinho; Felmlee, Joel P; Welker, Kirk M; Klassen, Bryan T; Min, Hoon-Ki; Lee, Kendall H

    2016-08-01

    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

  4. 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

  5. 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.

  6. Polaronic mass renormalization of impurities in Bose-Einstein condensates: Correlated Gaussian-wave-function approach

    NASA Astrophysics Data System (ADS)

    Shchadilova, Yulia E.; Grusdt, Fabian; Rubtsov, Alexey N.; Demler, Eugene

    2016-04-01

    We propose a class of variational Gaussian wave functions to describe Fröhlich polarons at finite momenta. Our wave functions give polaron energies that are in excellent agreement with the existing Monte Carlo results for a broad range of interactions. We calculate the effective mass of polarons and find smooth crossover between weak- and intermediate-coupling strength. Effective masses that we obtain are considerably larger than those predicted by the mean-field method. A prediction based on our variational wave functions is a special pattern of correlations between host atoms that can be measured in time-of-flight experiments.

  7. 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. PMID:23862918

  8. Short-range correlations and the 3 s1 /2 wave function in 206Pb

    NASA Astrophysics Data System (ADS)

    Anders, M. R.; Shlomo, S.; Talmi, I.

    2015-09-01

    The charge-density difference between 206Pb and 205Tl , measured by elastic electron scattering, offers a unique opportunity to look for effects of short-range correlations on a shell-model wave function of a single proton. The measured difference is very similar to the charge density due to a proton in a 3 s1 /2 orbit. If there is a potential whose 3 s1 /2 wave function yields the measured difference between the charge distributions, no effect of short-range correlations is evident. To check this point, we look for a potential whose 3 s1 /2 wave function yields the measured data. We developed a novel method to obtain the potential directly from the density and its first and second derivatives. Fits to parametrized potentials were also carried out. The 3 s1 /2 wave functions of the potentials determined here reproduce fairly well the experimental data within the quoted errors. To detect possible effects of two-body correlations on the 3 s1 /2 shell-model wave function, more accurate measurements are required.

  9. 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

  10. Correlations between statistical models of robotically collected kinematics and clinical measures of upper extremity function.

    PubMed

    Rohafza, Maryam; Fluet, Gerard G; Qiu, Qinyin; Adamovich, Sergei

    2012-01-01

    One of the obstacles in the development of rehabilitation robotics has been inadequacy in the measurement of treatment effects due to interventions. A measurement tool that will efficiently produce a large reliable sample of measurements collected during a single session that can also produce a rich set of data which reflects a subject's ability to perform meaningful functional activities has not been developed. This paper presents three linear regression models generated from seven kinematic measures collected during the performance of virtually simulated rehabilitation activities that were integrated with haptic robots by 19 persons with upper extremity hemiparesis due to chronic stroke. One of these models demonstrated a statistically significant correlation with the subjects' scores on the Jebsen Test of Hand Function (JTHF), a battery of six standardized upper extremity functional activities. The second and third models demonstrated a statistically significant correlation with the subjects' change scores on the JTHF. PMID:23366834

  11. Accuracy of electronic wave functions in quantum Monte Carlo: The effect of high-order correlations

    NASA Astrophysics Data System (ADS)

    Huang, Chien-Jung; Umrigar, C. J.; Nightingale, M. P.

    1997-08-01

    Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the importance of including high-order, nucleus-three-electron correlations in the Jastrow factor. An efficient algorithm based on the theory of invariants is used to compute the high-body correlations. We observe significant improvements in the variational Monte Carlo energy and in the fluctuations of the local energies but not in the fixed-node diffusion Monte Carlo energies. Improvements for the ground states of physical, fermionic atoms are found to be smaller than those for the ground states of fictitious, bosonic atoms, indicating that errors in the nodal surfaces of the fermionic wave functions are a limiting factor.

  12. Correlations between Limbic White Matter and Cognitive Function in Temporal-Lobe Epilepsy, Preliminary Findings

    PubMed Central

    Alexander, Ryan P. D.; Concha, Luis; Snyder, Thomas J.; Beaulieu, Christian; Gross, Donald William

    2014-01-01

    The limbic system is presumed to have a central role in cognitive performance, in particular memory. The purpose of this study was to investigate the relationship between limbic white matter microstructure and neuropsychological function in temporal-lobe epilepsy (TLE) patients using diffusion tensor imaging (DTI). Twenty-one adult TLE patients, including 7 non-lesional (nlTLE) and 14 with unilateral mesial temporal sclerosis (uTLE), were studied with both DTI and hippocampal T2 relaxometry. Correlations were performed between fractional anisotropy (FA) of the bilateral fornix and cingulum, hippocampal T2, neuropsychological tests. Positive correlations were observed in the whole group for the left fornix and processing speed index. In contrast, memory tests did not show significant correlations with DTI findings. Subgroup analysis demonstrated an association between the left fornix and processing speed in nlTLE but not uTLE. No correlations were observed between hippocampal T2 and test scores in either the TLE group as a whole or after subgroup analysis. Our findings suggest that integrity of the left fornix specifically is an important anatomical correlate of cognitive function in TLE patients, in particular patients with nlTLE. PMID:25071551

  13. The correlation of metrics in complex networks with applications in functional brain networks

    NASA Astrophysics Data System (ADS)

    Li, C.; Wang, H.; de Haan, W.; Stam, C. J.; Van Mieghem, P.

    2011-11-01

    An increasing number of network metrics have been applied in network analysis. If metric relations were known better, we could more effectively characterize networks by a small set of metrics to discover the association between network properties/metrics and network functioning. In this paper, we investigate the linear correlation coefficients between widely studied network metrics in three network models (Bárabasi-Albert graphs, Erdös-Rényi random graphs and Watts-Strogatz small-world graphs) as well as in functional brain networks of healthy subjects. The metric correlations, which we have observed and theoretically explained, motivate us to propose a small representative set of metrics by including only one metric from each subset of mutually strongly dependent metrics. The following contributions are considered important. (a) A network with a given degree distribution can indeed be characterized by a small representative set of metrics. (b) Unweighted networks, which are obtained from weighted functional brain networks with a fixed threshold, and Erdös-Rényi random graphs follow a similar degree distribution. Moreover, their metric correlations and the resultant representative metrics are similar as well. This verifies the influence of degree distribution on metric correlations. (c) Most metric correlations can be explained analytically. (d) Interestingly, the most studied metrics so far, the average shortest path length and the clustering coefficient, are strongly correlated and, thus, redundant. Whereas spectral metrics, though only studied recently in the context of complex networks, seem to be essential in network characterizations. This representative set of metrics tends to both sufficiently and effectively characterize networks with a given degree distribution. In the study of a specific network, however, we have to at least consider the representative set so that important network properties will not be neglected.

  14. Correlation Between Vision and Cognitive Function in the Elderly: A Cross-Sectional Study.

    PubMed

    Spierer, Oriel; Fischer, Naomi; Barak, Adiel; Belkin, Michael

    2016-01-01

    The correlation between vision and cognition is not fully understood. Visual impairment in the elderly has been associated with impaired cognitive function, dementia, and Alzheimer disease. The aim was to study the correlation between near visual acuity (VA), refraction, and cognitive state in an elderly population.Subjects ≥75 years were enrolled in this cross-sectional study. Refraction and near VA was tested. Cognitive function was evaluated with a version of the mini-mental state examination for the visually impaired (MMSE-blind). The eye with better VA and no cataract or refractive surgery was analyzed.One-hundred ninety subjects (81.6 ± 5.1 years, 69.5% female) were included. Good VA (≤J3) was associated with high MMSE-blind (>17) (OR = 3.18, 95% CI = 1.57-6.43, P = 0.001). This remained significant adjusting for sex, age, and years of education. Wearing reading glasses correlated significantly with high MMSE-blind after adjustment for sex and age (OR = 2.14, 95% CI = 1.16-3.97, P = 0.016), but reached borderline significance after adjustment for education. There was a trend toward correlation between myopia and better MMSE-blind (r = -0.123, P = 0.09, Pearson correlation).Good VA and wearing glasses seem to correlate with better cognitive function. Reading glasses can serve as a protective factor against cognitive deterioration associated with sensory (visual) deprivation in old age. The association between myopia and cognition requires further investigation. PMID:26817872

  15. Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection

    PubMed Central

    2016-01-01

    The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange–correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange–correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed. PMID:27116427

  16. Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection.

    PubMed

    Vuckovic, Stefan; Irons, Tom J P; Savin, Andreas; Teale, Andrew M; Gori-Giorgi, Paola

    2016-06-14

    The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange-correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed. PMID:27116427

  17. Multi-time multi-scale correlation functions in hydrodynamic turbulence

    NASA Astrophysics Data System (ADS)

    Biferale, Luca; Calzavarini, Enrico; Toschi, Federico

    2011-08-01

    High Reynolds numbers Navier-Stokes equations are believed to break self-similarity concerning both spatial and temporal properties: correlation functions of different orders exhibit distinct decorrelation times and anomalous spatial scaling properties. Here, we present a systematic attempt to measure multi-time and multi-scale correlations functions, by using high Reynolds numbers numerical simulations of fully homogeneous and isotropic turbulent flow. The main idea is to set-up an ensemble of probing stations riding the flow, i.e., measuring correlations in a reference frame centered on the trajectory of distinct fluid particles (the quasi-Lagrangian reference frame introduced by Belinicher and L'vov [Sov. Phys. JETP 66, 303 (1987)]). In this way, we reduce the large-scale sweeping and measure the non-trivial temporal dynamics governing the turbulent energy transfer from large to small scales. We present evidences of the existence of the dynamic multiscaling properties of turbulence - first proposed by L'vov et al. [Phys. Rev. E 55, 7030 (1997)] - in which multi-time correlation functions are characterized by an infinite set of characteristic times.

  18. 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

  19. Detection of rheumatoid arthritis by evaluation of normalized variances of fluorescence time correlation functions

    NASA Astrophysics Data System (ADS)

    Dziekan, Thomas; Weissbach, Carmen; Voigt, Jan; Ebert, Bernd; MacDonald, Rainer; Bahner, Malte L.; Mahler, Marianne; Schirner, Michael; Berliner, Michael; Berliner, Birgitt; Osel, Jens; Osel, Ilka

    2011-07-01

    Fluorescence imaging using the dye indocyanine green as a contrast agent was investigated in a prospective clinical study for the detection of rheumatoid arthritis. Normalized variances of correlated time series of fluorescence intensities describing the bolus kinetics of the contrast agent in certain regions of interest were analyzed to differentiate healthy from inflamed finger joints. These values are determined using a robust, parameter-free algorithm. We found that the normalized variance of correlation functions improves the differentiation between healthy joints of volunteers and joints with rheumatoid arthritis of patients by about 10% compared to, e.g., ratios of areas under the curves of raw data.

  20. A pilot study of functional magnetic resonance imaging brain correlates of deception in healthy young men.

    PubMed

    Kozel, F Andrew; Revell, Letty J; Lorberbaum, Jeffrey P; Shastri, Ananda; Elhai, Jon D; Horner, Michael David; Smith, Adam; Nahas, Ziad; Bohning, Daryl E; George, Mark S

    2004-01-01

    We hypothesized that specific brain regions would activate during deception, and these areas would correlate with changes in electrodermal activity (EDA). Eight men were asked to find money hidden under various objects. While functional MRI images were acquired and EDA was recorded, the subjects gave both truthful and deceptive answers regarding the money's location. The group analysis revealed significant activation during deception in the orbitofrontal cortex (OFCx) and anterior cingulate (AC), but individual results were not consistent. Individually and as a group, EDA correlated with blood flow changes in the OFCx and AC. Specific brain regions were activated during deception, but the present technique lacks good predictive power for individuals. PMID:15377736

  1. The Correlation Function of Galaxy Clusters and Detection of Baryon Acoustic Oscillations

    NASA Astrophysics Data System (ADS)

    Hong, T.; Han, J. L.; Wen, Z. L.; Sun, L.; Zhan, H.

    2012-04-01

    We calculate the correlation function of 13,904 galaxy clusters of z <= 0.4 selected from the cluster catalog of Wen et al. The correlation function can be fitted with a power-law model ξ(r) = (r/R 0)-γ on the scales of 10 h -1 Mpc <= r <= 50 h -1 Mpc, with a larger correlation length of R 0 = 18.84 ± 0.27 h -1 Mpc for clusters with a richness of R >= 15 and a smaller length of R 0 = 16.15 ± 0.13 h -1 Mpc for clusters with a richness of R >= 5. The power-law index of γ = 2.1 is found to be almost the same for all cluster subsamples. A pronounced baryon acoustic oscillations (BAO) peak is detected at r ~ 110 h -1 Mpc with a significance of ~1.9σ. By analyzing the correlation function in the range of 20 h -1 Mpc <= r <= 200 h -1 Mpc, we find that the constraints on distance parameters are Dv (zm = 0.276) = 1077 ± 55(1σ) Mpc and h = 0.73 ± 0.039(1σ), which are consistent with the cosmology derived from Wilkinson Microwave Anisotropy Probe (WMAP) seven-year data. However, the BAO signal from the cluster sample is stronger than expected and leads to a rather low matter density Ω m h 2 = 0.093 ± 0.0077(1σ), which deviates from the WMAP7 result by more than 3σ. The correlation function of the GMBCG cluster sample is also calculated and our detection of the BAO feature is confirmed.

  2. THE CORRELATION FUNCTION OF GALAXY CLUSTERS AND DETECTION OF BARYON ACOUSTIC OSCILLATIONS

    SciTech Connect

    Hong, T.; Han, J. L.; Wen, Z. L.; Sun, L.; Zhan, H.

    2012-04-10

    We calculate the correlation function of 13,904 galaxy clusters of z {<=} 0.4 selected from the cluster catalog of Wen et al. The correlation function can be fitted with a power-law model {xi}(r) = (r/R{sub 0}){sup -{gamma}} on the scales of 10 h{sup -1} Mpc {<=} r {<=} 50 h{sup -1} Mpc, with a larger correlation length of R{sub 0} = 18.84 {+-} 0.27 h{sup -1} Mpc for clusters with a richness of R {>=} 15 and a smaller length of R{sub 0} = 16.15 {+-} 0.13 h{sup -1} Mpc for clusters with a richness of R {>=} 5. The power-law index of {gamma} = 2.1 is found to be almost the same for all cluster subsamples. A pronounced baryon acoustic oscillations (BAO) peak is detected at r {approx} 110 h{sup -1} Mpc with a significance of {approx}1.9{sigma}. By analyzing the correlation function in the range of 20 h{sup -1} Mpc {<=} r {<=} 200 h{sup -1} Mpc, we find that the constraints on distance parameters are D{sub v} (z{sub m} = 0.276) = 1077 {+-} 55(1{sigma}) Mpc and h = 0.73 {+-} 0.039(1{sigma}), which are consistent with the cosmology derived from Wilkinson Microwave Anisotropy Probe (WMAP) seven-year data. However, the BAO signal from the cluster sample is stronger than expected and leads to a rather low matter density {Omega}{sub m} h{sup 2} = 0.093 {+-} 0.0077(1{sigma}), which deviates from the WMAP7 result by more than 3{sigma}. The correlation function of the GMBCG cluster sample is also calculated and our detection of the BAO feature is confirmed.

  3. Neural Correlates of Emotional Personality: A Structural and Functional Magnetic Resonance Imaging Study

    PubMed Central

    Koelsch, Stefan; Skouras, Stavros; Jentschke, Sebastian

    2013-01-01

    Studies addressing brain correlates of emotional personality have remained sparse, despite the involvement of emotional personality in health and well-being. This study investigates structural and functional brain correlates of psychological and physiological measures related to emotional personality. Psychological measures included neuroticism, extraversion, and agreeableness scores, as assessed using a standard personality questionnaire. As a physiological measure we used a cardiac amplitude signature, the so-called Eκ value (computed from the electrocardiogram) which has previously been related to tender emotionality. Questionnaire scores and Eκ values were related to both functional (eigenvector centrality mapping, ECM) and structural (voxel-based morphometry, VBM) neuroimaging data. Functional magnetic resonance imaging (fMRI) data were obtained from 22 individuals (12 females) while listening to music (joy, fear, or neutral music). ECM results showed that agreeableness scores correlated with centrality values in the dorsolateral prefrontal cortex, the anterior cingulate cortex, and the ventral striatum (nucleus accumbens). Individuals with higher Eκ values (indexing higher tender emotionality) showed higher centrality values in the subiculum of the right hippocampal formation. Structural MRI data from an independent sample of 59 individuals (34 females) showed that neuroticism scores correlated with volume of the left amygdaloid complex. In addition, individuals with higher Eκ showed larger gray matter volume in the same portion of the subiculum in which individuals with higher Eκ showed higher centrality values. Our results highlight a role of the amygdala in neuroticism. Moreover, they indicate that a cardiac signature related to emotionality (Eκ) correlates with both function (increased network centrality) and structure (grey matter volume) of the subiculum of the hippocampal formation, suggesting a role of the hippocampal formation for emotional

  4. Disentangling the ambiguity of the lagged correlation function - analysis of the Walker circulation mechanism

    NASA Astrophysics Data System (ADS)

    Runge, Jakob; Kurths, Jürgen

    2013-04-01

    A first step towards the investigation of tropical climate variability and teleconnections is the analysis of observations. Lagged correlation analysis is commonly used to gain insights into interaction mechanisms between climatological processes, in particular to determine the time delay and strength of a mechanism. In this talk, such an analysis is discussed on the mechanism of the Walker circulation. The influence of serial correlation on lagged correlation functions and regressions is investigated and it is demonstrated how this influence can lead to ambiguous and misleading conclusions about the time delay and strength of an interaction mechanism. To overcome the issues arising in interpreting the lag and strength of a correlation, we propose to use graphical models that encode the lag-specific causality between multiple processes. In this framework a certain partial correlation measure is derived that allows to very specifically measure the time delay and strength of a coupling mechanism. This approach is then shown to yield a more precise picture of the interaction mechanism of the Walker circulation. The talk is intended to serve as a guideline to interpret lagged correlations and regressions and introduces a more powerful approach to analyze time delays and strengths of interaction mechanisms.

  5. Cascaded evolutionary algorithm for nonlinear system identification based on correlation functions and radial basis functions neural networks

    NASA Astrophysics Data System (ADS)

    Ayala, Helon Vicente Hultmann; Coelho, Leandro dos Santos

    2016-02-01

    The present work introduces a procedure for input selection and parameter estimation for system identification based on Radial Basis Functions Neural Networks (RBFNNs) models with an improved objective function based on the residuals and its correlation function coefficients. We show the results when the proposed methodology is applied to model a magnetorheological damper, with real acquired data, and other two well-known benchmarks. The canonical genetic and differential evolution algorithms are used in cascade to decompose the problem of defining the lags taken as the inputs of the model and its related parameters based on the simultaneous minimization of the residuals and higher orders correlation functions. The inner layer of the cascaded approach is composed of a population which represents the lags on the inputs and outputs of the system and an outer layer represents the corresponding parameters of the RBFNN. The approach is able to define both the inputs of the model and its parameters. This is interesting as it frees the designer of manual procedures, which are time consuming and prone to error, usually done to define the model inputs. We compare the proposed methodology with other works found in the literature, showing overall better results for the cascaded approach.

  6. Hydrogen Molecule Dissociation Curve with Functionals Based on the Strictly Correlated Regime.

    PubMed

    Vuckovic, Stefan; Wagner, Lucas O; Mirtschink, André; Gori-Giorgi, Paola

    2015-07-14

    Using the dual Kantorovich formulation, we compute the strictly correlated electrons (SCE) functional (corresponding to the exact strong-interaction limit of density functional theory) for the hydrogen molecule along the dissociation curve. We use an exact relation between the Kantorovich potential and the optimal map to compute the comotion function, exploring corrections based on it. In particular, we analyze how the SCE functional transforms in an exact way the electron-electron distance into a one-body quantity, a feature that can be exploited to build new approximate functionals. We also show that the dual Kantorovich formulation provides in a natural way the constant in the Kohn-Sham potential recently introduced by Levy and Zahariev [Phys. Rev. Lett. 2014, 113, 113002] for finite systems. PMID:26575752

  7. 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.

  8. 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

  9. 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.

  10. Correlation between upper limb function and oral health impact in stroke survivors

    PubMed Central

    da Silva, Fernanda C.; da Silva, Daniela F. T.; Mesquita-Ferrari, Raquel A.; Fernandes, Kristianne P. S.; Bussadori, Sandra K.

    2015-01-01

    [Purpose] The aim of the present study was to evaluate the relationship between upper limb impairment and oral health impact in individuals with hemiparesis stemming from a stroke. [Subjects and Methods] The study subjects were conducted with a sample of 27 stroke survivors with complete or partial hemiparesis with brachial or crural predominance. The 14-item short version of the Oral Health Impact Profile was used to evaluate perceptions of oral health. The Brazilian version of the Stroke Specific Quality of Life Scale was used to evaluate perceptions regarding quality of life. [Results] A statistically significant association was found between the upper extremity function subscale of the SSQOL-Brazil and the impact of oral health evaluated using the OHIP-14, with a strong correlation found for the physical pain subscale, moderate correlations with the functional limitation, psychological discomfort, physical disability, social disability and social handicap subscales as well as a weak correlation with the psychological disability subscale. Analyzing the OHIP-14 scores with regard to the impact of oral health on quality of life, the most frequent classification was weak impact, with small rates of moderate and strong impact. [Conclusion] Compromised upper limb function and self-perceived poor oral health, whether due to cultural resignation or functional disability, exert a negative impact on the quality of life of individuals with hemiparesis stemming from a stroke. PMID:26310352

  11. Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

    SciTech Connect

    Eich, F. G.; Hellgren, Maria

    2014-12-14

    We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.

  12. Determination of correlation functions of turbulent velocity and sound speed fluctuations by means of ultrasonic technique

    NASA Astrophysics Data System (ADS)

    Andreeva, Tatiana A.; Durgin, William W.

    2011-12-01

    An experimental study of the propagation of high-frequency acoustic waves through grid-generated turbulence by means of an ultrasound technique is discussed. Experimental data were obtained for ultrasonic wave propagation downstream of heated and non-heated grids in a wind tunnel. A semi-analytical acoustic propagation model that allows the determination of the spatial correlation functions of the flow field is developed based on the classical flowmeter equation and the statistics of the travel time of acoustic waves traveling through the kinematic and thermal turbulence. The basic flowmeter equation is reconsidered in order to take into account sound speed fluctuations and turbulent velocity fluctuations. It allows deriving an integral equation that relates the correlation functions of travel time, sound speed fluctuations and turbulent velocity fluctuations. Experimentally measured travel time statistics of data with and without grid heating are approximated by an exponential function and used to analytically solve the integral equation. The reconstructed correlation functions of the turbulent velocity and sound speed fluctuations are presented. The power spectral density of the turbulent velocity and sound speed fluctuations are calculated.

  13. Correlation between upper limb function and oral health impact in stroke survivors.

    PubMed

    da Silva, Fernanda C; da Silva, Daniela F T; Mesquita-Ferrari, Raquel A; Fernandes, Kristianne P S; Bussadori, Sandra K

    2015-07-01

    [Purpose] The aim of the present study was to evaluate the relationship between upper limb impairment and oral health impact in individuals with hemiparesis stemming from a stroke. [Subjects and Methods] The study subjects were conducted with a sample of 27 stroke survivors with complete or partial hemiparesis with brachial or crural predominance. The 14-item short version of the Oral Health Impact Profile was used to evaluate perceptions of oral health. The Brazilian version of the Stroke Specific Quality of Life Scale was used to evaluate perceptions regarding quality of life. [Results] A statistically significant association was found between the upper extremity function subscale of the SSQOL-Brazil and the impact of oral health evaluated using the OHIP-14, with a strong correlation found for the physical pain subscale, moderate correlations with the functional limitation, psychological discomfort, physical disability, social disability and social handicap subscales as well as a weak correlation with the psychological disability subscale. Analyzing the OHIP-14 scores with regard to the impact of oral health on quality of life, the most frequent classification was weak impact, with small rates of moderate and strong impact. [Conclusion] Compromised upper limb function and self-perceived poor oral health, whether due to cultural resignation or functional disability, exert a negative impact on the quality of life of individuals with hemiparesis stemming from a stroke. PMID:26310352

  14. Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory.

    PubMed

    Otero-de-la-Roza, A; DiLabio, Gino A; Johnson, Erin R

    2016-07-12

    In this article, we develop an understanding of how errors from exchange-correlation functionals affect the modeling of noncovalent interactions in dispersion-corrected density-functional theory. Computed CCSD(T) reference binding energies for a collection of small-molecule clusters are decomposed via a molecular many-body expansion and are used to benchmark density-functional approximations, including the effect of semilocal approximation, exact-exchange admixture, and range separation. Three sources of error are identified. Repulsion error arises from the choice of semilocal functional approximation. This error affects intermolecular repulsions and is present in all n-body exchange-repulsion energies with a sign that alternates with the order n of the interaction. Delocalization error is independent of the choice of semilocal functional but does depend on the exact exchange fraction. Delocalization error misrepresents the induction energies, leading to overbinding in all induction n-body terms, and underestimates the electrostatic contribution to the 2-body energies. Deformation error affects only monomer relaxation (deformation) energies and behaves similarly to bond-dissociation energy errors. Delocalization and deformation errors affect systems with significant intermolecular orbital interactions (e.g., hydrogen- and halogen-bonded systems), whereas repulsion error is ubiquitous. Many-body errors from the underlying exchange-correlation functional greatly exceed in general the magnitude of the many-body dispersion energy term. A functional built to accurately model noncovalent interactions must contain a dispersion correction, semilocal exchange, and correlation components that minimize the repulsion error independently and must also incorporate exact exchange in such a way that delocalization error is absent. PMID:27243962

  15. Nonlinear electric reaction arising in dry bone subjected to 4-point bending

    NASA Astrophysics Data System (ADS)

    Murasawa, Go; Cho, Hideo; Ogawa, Kazuma

    2007-04-01

    Bone is a smart, self-adaptive and also partly self-repairing tissue. In recent years, many researchers seek to find how to give the effective mechanical stimulation to bone, because it is the predominant loading that determines the bone shape and macroscopic structure. However, the trial of regeneration of bone is still under way. On the other hand, it has been known that electrical potential generates from bone by mechanical stimulation (Yasuda, 1977; Williams, 1982; Starkebaum, 1979; Cochran, 1968; Lanyon, 1977; Salzstein, 1987a,b; Friedenberg, 1966). This is called "stress-generated potential (SGP)". The process of information transfer between "strain" and "cells" is not still clear. But, there is some possibility that SGP has something to do with the process of information transfer. If the electrical potential is more clear under some mechanical loadings, we will be able to regenerate bone artificially and freely. Therefore, it is important to investigate SGP in detail. The aim of present study is to investigate the electric reaction arising in dry bone subjected to mechanical loadings at high amplitude and low frequency strain. Firstly, specimen is fabricated from femur of cow. Next, the speeds of wave propagation in bone are tried to measure by laser ultra sonic technique and wavelet transform, because these have relationship with bone density. Secondary, 4-point bending test is conducted up to fracture. Then, electric reaction arising in bone is measured during loading. Finally, cyclic 4-point bending tests are conducted to investigate the electric reaction arising in bone at low frequency strain.

  16. Keypoint-based 4-Points Congruent Sets - Automated marker-less registration of laser scans

    NASA Astrophysics Data System (ADS)

    Theiler, Pascal Willy; Wegner, Jan Dirk; Schindler, Konrad

    2014-10-01

    We propose a method to automatically register two point clouds acquired with a terrestrial laser scanner without placing any markers in the scene. What makes this task challenging are the strongly varying point densities caused by the line-of-sight measurement principle, and the huge amount of data. The first property leads to low point densities in potential overlap areas with scans taken from different viewpoints while the latter calls for highly efficient methods in terms of runtime and memory requirements. A crucial yet largely unsolved step is the initial coarse alignment of two scans without any simplifying assumptions, that is, point clouds are given in arbitrary local coordinates and no knowledge about their relative orientation is available. Once coarse alignment has been solved, scans can easily be fine-registered with standard methods like least-squares surface or Iterative Closest Point matching. In order to drastically thin out the original point clouds while retaining characteristic features, we resort to extracting 3D keypoints. Such clouds of keypoints, which can be viewed as a sparse but nevertheless discriminative representation of the original scans, are then used as input to a very efficient matching method originally developed in computer graphics, called 4-Points Congruent Sets (4PCS) algorithm. We adapt the 4PCS matching approach to better suit the characteristics of laser scans. The resulting Keypoint-based 4-Points Congruent Sets (K-4PCS) method is extensively evaluated on challenging indoor and outdoor scans. Beyond the evaluation on real terrestrial laser scans, we also perform experiments with simulated indoor scenes, paying particular attention to the sensitivity of the approach with respect to highly symmetric scenes.

  17. HD CAG-correlated gene expression changes support a simple dominant gain of function.

    PubMed

    Jacobsen, Jessie C; Gregory, Gillian C; Woda, Juliana M; Thompson, Morgan N; Coser, Kathryn R; Murthy, Vidya; Kohane, Isaac S; Gusella, James F; Seong, Ihn Sik; MacDonald, Marcy E; Shioda, Toshi; Lee, Jong-Min

    2011-07-15

    Huntington's disease is initiated by the expression of a CAG repeat-encoded polyglutamine region in full-length huntingtin, with dominant effects that vary continuously with CAG size. The mechanism could involve a simple gain of function or a more complex gain of function coupled to a loss of function (e.g. dominant negative-graded loss of function). To distinguish these alternatives, we compared genome-wide gene expression changes correlated with CAG size across an allelic series of heterozygous CAG knock-in mouse embryonic stem (ES) cell lines (Hdh(Q20/7), Hdh(Q50/7), Hdh(Q91/7), Hdh(Q111/7)), to genes differentially expressed between Hdh(ex4/5/ex4/5) huntingtin null and wild-type (Hdh(Q7/7)) parental ES cells. The set of 73 genes whose expression varied continuously with CAG length had minimal overlap with the 754-member huntingtin-null gene set but the two were not completely unconnected. Rather, the 172 CAG length-correlated pathways and 238 huntingtin-null significant pathways clustered into 13 shared categories at the network level. A closer examination of the energy metabolism and the lipid/sterol/lipoprotein metabolism categories revealed that CAG length-correlated genes and huntingtin-null-altered genes either were different members of the same pathways or were in unique, but interconnected pathways. Thus, varying the polyglutamine size in full-length huntingtin produced gene expression changes that were distinct from, but related to, the effects of lack of huntingtin. These findings support a simple gain-of-function mechanism acting through a property of the full-length huntingtin protein and point to CAG-correlative approaches to discover its effects. Moreover, for therapeutic strategies based on huntingtin suppression, our data highlight processes that may be more sensitive to the disease trigger than to decreased huntingtin levels. PMID:21536587

  18. Assessment of the Perdew-Burke-Ernzerhof exchange-correlation functional

    NASA Astrophysics Data System (ADS)

    Ernzerhof, Matthias; Scuseria, Gustavo E.

    1999-03-01

    In order to discriminate between approximations to the exchange-correlation energy EXC[ρ↑,ρ↓], we employ the criterion of whether the functional is fitted to a certain experimental data set or if it is constructed to satisfy physical constraints. We present extensive test calculations for atoms and molecules, with the nonempirical local spin-density (LSD) and the Perdew-Burke-Ernzerhof (PBE) functional and compare our results with results obtained with more empirical functionals. For the atomization energies of the G2 set, we find that the PBE functional shows systematic errors larger than those of commonly used empirical functionals. The PBE ionization potentials, electron affinities, and bond lengths are of accuracy similar to those obtained from empirical functionals. Furthermore, a recently proposed hybrid scheme using exact exchange together with PBE exchange and correlation is investigated. For all properties studied here, the PBE hybrid gives an accuracy comparable to the frequently used empirical B3LYP hybrid scheme. Physical principles underlying the PBE and PBE hybrid scheme are examined and the range of their validity is discussed.

  19. Measurement of the light-field amplitude-correlation function through joint photon-count distributions.

    NASA Technical Reports Server (NTRS)

    Furcinitti, P.; Kuppenheimer, J. D.; Narducci, L. M.; Tuft , R. A.

    1972-01-01

    When an amplitude-stabilized He-Ne laser beam is scattered by a rotating ground glass with small surface inhomogeneities, the probability density of the instantaneous scattered-wave amplitude is Gaussian. In this paper, we suggest the use of the joint photon-count probability distribution to measure the absolute value of the electric-field amplitude-correlation function for random Gaussian light fields, and report the results of an experiment in which the Gaussian field is produced by scattering a light beam through a rotating ground glass. This procedure offers an alternative to other conventional methods, such as self-beating spectroscopy and irradiance-correlation techniques. The correlation time of the scattered-field amplitude in the present experiment has been measured with an accuracy of approximately 0.8%.

  20. Hierarchy of correlations: Application to Green's functions and interacting topological phases

    NASA Astrophysics Data System (ADS)

    Gómez-León, Álvaro

    2016-07-01

    We study the many-body physics of different quantum systems using a hierarchy of correlations, which corresponds to a generalization of the 1 /Z hierarchy. The decoupling scheme obtained from this hierarchy is adapted to calculate double-time Green's functions and due to its nonperturbative nature, we describe quantum phase transition and topological features characteristic of strongly correlated phases. As concrete examples we consider spinless fermions in a dimerized chain and in a honeycomb lattice. We present analytical results which are valid for any dimension and can be generalized to different types of interactions (e.g., long-range interactions), which allows us to shed light on the effect of quantum correlations in a very systematic way. Furthermore, we show that this approach provides an efficient framework for the calculation of topological invariants in interacting systems.

  1. Limbic Metabolic Abnormalities in Remote Traumatic Brain Injury and Correlation With Psychiatric Morbidity and Social Functioning

    PubMed Central

    Capizzano, Arístides A.; Jorge, Ricardo E.; Robinson, Robert G.

    2013-01-01

    The aim of this study was to investigate limbic metabolic abnormalities in remote traumatic brain injury (TBI) and their psychiatric correlates. Twenty patients and 13 age-matched comparison subjects received complete psychiatric evaluation and brain MRI and MR spectroscopy at 3 Tesla. Patients had reduced NAA to creatine ratio in the left hippocampus relative to comparison subjects (mean=1.3 [SD=0.21] compared with mean=1.55 [SD=0.21]; F=10.73, df=1, 30, p=0.003), which correlated with the Social Functioning Examination scores (rs=−0.502, p=0.034). Furthermore, patients with mood disorders had reduced NAA to creatine ratio in the left cingulate relative to patients without mood disorders (1.47 compared with 1.68; F=3.393, df=3, 19, p=0.044). Remote TBI displays limbic metabolic abnormalities, which correlate to social outcome and psychiatric status. PMID:21037120

  2. 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

  3. Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water.

    PubMed

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

    2014-06-10

    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 to choose optimal functionals for first-principles simulations. 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, in order to correct the inaccuracies in the description of short-range interactions in the liquid, we test a recently introduced scheme that combines Density Functional Theory with Coupled Cluster calculations through a Many-Body expansion of the energy. PMID:26580755

  4. Neural correlates of time-varying functional connectivity in the rat

    PubMed Central

    Thompson, Garth John; Merritt, Michael Donelyn; Pan, Wen-Ju; Magnuson, Matthew Evan; Grooms, Joshua Koehler; Jaeger, Dieter; Keilholz, Shella Dawn

    2013-01-01

    Functional connectivity between brain regions, measured with resting state functional magnetic resonance imaging, holds great potential for understanding the basis of behavior and neuropsychiatric diseases. Recently it has become clear that correlations between the blood oxygenation level dependent (BOLD) signals from different areas vary over the course of a typical scan (6–10 minutes in length), though the changes are obscured by standard methods of analysis that assume the relationships are stationary. Unfortunately, because similar variability is observed in signals that share no temporal information, it is unclear which dynamic changes are related to underlying neural events. To examine this question, BOLD data were recorded simultaneously with local field potentials (LFP) from interhemispheric primary somatosensory cortex (SI) in anesthetized rats. LFP signals were converted into band-limited power (BLP) signals including delta, theta, alpha, beta and gamma. Correlation between signals from interhemispheric SI was performed in sliding windows to produce signals of correlation over time for BOLD and each BLP band. Both BOLD and BLP signals showed large changes in correlation over time and the changes in BOLD were significantly correlated to the changes in BLP. The strongest relationship was seen when using the theta, beta and gamma bands. Interestingly, while steady-state BOLD and BLP correlate with the global fMRI signal, dynamic BOLD becomes more like dynamic BLP after the global signal is regressed. As BOLD sliding window connectivity is partially reflecting underlying LFP changes, the present study suggests it may be a valuable method of studying dynamic changes in brain states. PMID:23876248

  5. Lower Extremity Strength Is Correlated with Walking Function After Incomplete SCI

    PubMed Central

    DiPiro, Nicole D.; Holthaus, Katy D.; Morgan, Patrick J.; Embry, Aaron E.; Perry, Lindsay A.; Bowden, Mark G.

    2015-01-01

    Background: Lower extremity strength has been reported to relate to walking ability, however, the relationship between voluntary lower extremity muscle function as measured by isokinetic dynamometry and walking have not been thoroughly examined in individuals with incomplete spinal cord injury (iSCI). Objective: To determine the extent to which measures of maximal voluntary isometric contraction (MVIC) and rate of torque development (RTD) in the knee extensor (KE) and plantar flexor (PF) muscle groups correlate with self-selected overground walking speed and spatiotemporal characteristics of walking. Methods: Twenty-two subjects with chronic (>6 months) iSCI participated in a cross-sectional study. Values for MVIC and RTD in the KE and PF muscle groups were determined by isokinetic dynamometry. Walking speed and spatiotemporal characteristics of walking were measured during overground walking. Results: MVIC in the KE and PF muscle groups correlated significantly with walking speed. RTD was significantly correlated with walking speed in both muscle groups, the more-involved PF muscle group showing the strongest correlation with walking speed (r = 0.728). RTD in the KE and PF muscle groups of the more-involved limb was significantly correlated with single support time of the more-involved limb. Conclusion: These data demonstrate that lower extremity strength is associated with walking ability after iSCI. Correlations for the muscle groups of the move-involved side were stronger compared to the less-involved limb. In addition, PF function is highlighted as a potential limiting factor to walking speed along with the importance of RTD. PMID:26364282

  6. Elucidating dimensions of posttraumatic stress symptoms and their functional correlates in disaster-exposed adolescents.

    PubMed

    Sumner, Jennifer A; Pietrzak, Robert H; Danielson, Carla Kmett; Adams, Zachary W; Ruggiero, Kenneth J

    2014-12-01

    The aim of this study was to elucidate the dimensional structure of posttraumatic stress disorder (PTSD) and potential moderators and functional correlates of this structure in disaster-affected adolescents. A population-based sample of 2000 adolescents aged 12-17 years (M = 14.5 years; 51% female) completed interviews on post-tornado PTSD symptoms, substance use, and parent-adolescent conflict between 4 and 13 months (M = 8.8, SD = 2.6) after tornado exposure. Confirmatory factor analyses revealed that all models fit well but a 5-factor dysphoric arousal model provided a statistically significantly better representation of adolescent PTSD symptoms compared to 4-factor dysphoria and emotional numbing models. There was evidence of measurement invariance of the dysphoric arousal model across gender and age, although girls and older adolescents aged 15-17 years had higher mean scores than boys and younger adolescents aged 12-14 years, respectively, on some PTSD dimensions. Differential magnitudes of association between PTSD symptom dimensions and functional correlates were observed, with emotional numbing symptoms most strongly positively associated with problematic substance use since the tornado, and dysphoric arousal symptoms most strongly positively associated with parent-adolescent conflict; both correlations were significantly larger than the corresponding correlations with anxious arousal. Taken together, these results suggest that the dimensional structure of tornado-related PTSD symptomatology in adolescents is optimally characterized by five separate clusters of re-experiencing, avoidance, numbing, dysphoric arousal, and anxious arousal symptoms, which showed unique associations with functional correlates. Findings emphasize that PTSD in disaster-exposed adolescents is not best conceptualized as a homogenous construct and highlight potential differential targets for post-disaster assessment and intervention. PMID:25248557

  7. Elucidating Dimensions of Posttraumatic Stress Symptoms and their Functional Correlates in Disaster-Exposed Adolescents

    PubMed Central

    Sumner, Jennifer A.; Pietrzak, Robert H.; Danielson, Carla Kmett; Adams, Zachary W.; Ruggiero, Kenneth J.

    2014-01-01

    The aim of this study was to elucidate the dimensional structure of posttraumatic stress disorder (PTSD) and potential moderators and functional correlates of this structure in disaster-affected adolescents. A population-based sample of 2,000 adolescents aged 12–17 years (M=14.5 years; 51% female) completed interviews on post-tornado PTSD symptoms, substance use, and parent-adolescent conflict between 4 and 13 months (M=8.8, SD=2.6) after tornado exposure. Confirmatory factor analyses revealed that all models fit well but a 5-factor dysphoric arousal model provided a statistically significantly better representation of adolescent PTSD symptoms compared to 4-factor dysphoria and emotional numbing models. There was evidence of measurement invariance of the dysphoric arousal model across gender and age, although girls and older adolescents aged 15–17 years had higher mean scores than boys and younger adolescents aged 12–14 years, respectively, on some PTSD dimensions. Differential magnitudes of association between PTSD symptom dimensions and functional correlates were observed, with emotional numbing symptoms most strongly positively associated with problematic substance use since the tornado, and dysphoric arousal symptoms most strongly positively associated with parent-adolescent conflict; both correlations were significantly larger than the corresponding correlations with anxious arousal. Taken together, these results suggest that the dimensional structure of tornado-related PTSD symptomatology in adolescents is optimally characterized by five separate clusters of re-experiencing, avoidance, numbing, dysphoric arousal, and anxious arousal symptoms, which showed unique associations with functional correlates. Findings emphasize that PTSD in disaster-exposed adolescents is not best conceptualized as a homogeneous construct and highlight potential differential targets for post-disaster assessment and intervention. PMID:25248557

  8. 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

  9. Analytical calculation of the Green's function and Drude weight for a correlated fermion-boson system

    NASA Astrophysics Data System (ADS)

    Alvermann, A.; Edwards, D. M.; Fehske, H.

    2010-04-01

    In classical Drude theory the conductivity is determined by the mass of the propagating particles and the mean free path between two scattering events. For a quantum particle this simple picture of diffusive transport loses relevance if strong correlations dominate the particle motion. We study a situation where the propagation of a fermionic particle is possible only through creation and annihilation of local bosonic excitations. This correlated quantum transport process is outside the Drude picture, since one cannot distinguish between free propagation and intermittent scattering. The characterization of transport is possible using the Drude weight obtained from the f-sum rule, although its interpretation in terms of free mass and mean free path breaks down. For the situation studied we calculate the Green's function and Drude weight using a Green's functions expansion technique, and discuss their physical meaning.

  10. Influence of the local-spin-density correlation functional on the stability of bcc ferromagnetic iron

    NASA Astrophysics Data System (ADS)

    Singh, D.; Clougherty, D. P.; MacLaren, J. M.; Albers, R. C.; Wang, C. S.

    1991-10-01

    The influence of local-spin-dependent correlation effects on the predicted stable ground-state phase of iron is reexamined with use of general-potential linearized augmented-plane-wave calculations. Differences in the form of the Vosko-Wilk-Nusair (VWN) local-spin-density functional used in previous studies are noted, since in previous studies significant additional approximations were made with respect to those of Vosko, Wilk, and Nusan [Can. J. Phys. 58, 1200 (1980)] and of MacLaren, Clougherty, and Albers [Phys. Rev. B 42, 3205 (1990)]. While the results of previous linear muffin-tin orbital calculations using the VWN functional predict a bcc ferromagnetic ground state, the present calculations show that the VWN spin-correlation effects fail to stabilize a bcc ground state. Considerable sensitivity to the form of the spin interpolation is found.

  11. 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.

  12. Probing Real-Space and Time-Resolved Correlation Functions with Many-Body Ramsey Interferometry

    NASA Astrophysics Data System (ADS)

    Knap, Michael; Kantian, Adrian; Giamarchi, Thierry; Bloch, Immanuel; Lukin, Mikhail D.; Demler, Eugene

    2013-10-01

    We propose to use Ramsey interferometry and single-site addressability, available in synthetic matter such as cold atoms or trapped ions, to measure real-space and time-resolved spin correlation functions. These correlation functions directly probe the excitations of the system, which makes it possible to characterize the underlying many-body states. Moreover, they contain valuable information about phase transitions where they exhibit scale invariance. We also discuss experimental imperfections and show that a spin-echo protocol can be used to cancel slow fluctuations in the magnetic field. We explicitly consider examples of the two-dimensional, antiferromagnetic Heisenberg model and the one-dimensional, long-range transverse field Ising model to illustrate the technique.

  13. Large-scale 3D galaxy correlation function and non-Gaussianity

    SciTech Connect

    Raccanelli, Alvise; Doré, Olivier; Bertacca, Daniele; Maartens, Roy E-mail: daniele.bertacca@gmail.com E-mail: roy.maartens@gmail.com

    2014-08-01

    We investigate the properties of the 2-point galaxy correlation function at very large scales, including all geometric and local relativistic effects --- wide-angle effects, redshift space distortions, Doppler terms and Sachs-Wolfe type terms in the gravitational potentials. The general three-dimensional correlation function has a nonzero dipole and octupole, in addition to the even multipoles of the flat-sky limit. We study how corrections due to primordial non-Gaussianity and General Relativity affect the multipolar expansion, and we show that they are of similar magnitude (when f{sub NL} is small), so that a relativistic approach is needed. Furthermore, we look at how large-scale corrections depend on the model for the growth rate in the context of modified gravity, and we discuss how a modified growth can affect the non-Gaussian signal in the multipoles.

  14. 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.

  15. Block renormalization group in a formalism with lattice wavelets: Correlation function formulas for interacting fermions

    SciTech Connect

    Pereira, E.; Procacci, A.

    1997-03-01

    Searching for a general and technically simple multiscale formalism to treat interacting fermions, we develop a (Wilson{endash}Kadanoff) block renormalization group mechanism, which, due to the property of {open_quotes}orthogonality between scales,{close_quotes} establishes a trivial link between the correlation functions and the effective potential flow, leading to simple expressions for the generating and correlation functions. Everything is based on the existence of {open_quotes}special configurations{close_quotes} (lattice wavelets) for multiscale problems: using a simple linear change of variables relating the initial fields to these configurations, we establish the formalism. The algebraic formulas show a perfect parallel with those obtained for bosonic problems, considered in previous works. {copyright} 1997 Academic Press, Inc.

  16. Hexagonal and nematic phases of chains. I - Correlation functions. II - Phase transitions

    NASA Technical Reports Server (NTRS)

    Selinger, Jonathan V.; Bruinsma, Robijn F.

    1991-01-01

    The statistical mechanics of a system of semiflexible chains, which can represent polymer liquid crystals, long-chain biomolecules, stiff wormlike micelles, or columns of discotic liquid crystals, are examined. A continuum theory is used to calculate static correlation functions in the hexagonal and nematic phases. Two correlation functions are considered: (1) the structure factor which describes fluctuations in the density; and (2) the director fluctuation spectrum, which describes fluctuations in the local optical axis. In addition, a model is developed for the phase transitions of a system of infinitely long, semiflexible chains which interact through a steric, excluded-volume repulsion. The model yields generic phase diagrams in terms of pressure or density vs. persistence length or temperature.

  17. Weak lensing effects on the galaxy three-point correlation function

    SciTech Connect

    Schmidt, Fabian; Vallinotto, Alberto; Sefusatti, Emiliano; Dodelson, Scott

    2008-08-15

    We study the corrections to the galaxy three-point correlation function induced by weak lensing magnification due to the matter distribution along the line of sight. We consistently derive all the correction terms arising up to second order in perturbation theory and provide analytic expressions as well as order-of-magnitude estimates for their relative importance. The magnification contributions depend on the geometry of the projected triangle on the sky plane and scale with different powers of the number count slope and redshift of the galaxy sample considered. We evaluate all terms numerically and show that, depending on the triangle configuration as well as the galaxy sample considered, weak lensing can in general significantly contribute to and alter the three-point correlation function observed through galaxy and quasar catalogs.

  18. Phase-change memory function of correlated electrons in organic conductors

    NASA Astrophysics Data System (ADS)

    Oike, H.; Kagawa, F.; Ogawa, N.; Ueda, A.; Mori, H.; Kawasaki, M.; Tokura, Y.

    2015-01-01

    Phase-change memory (PCM), a promising candidate for next-generation nonvolatile memories, exploits quenched glassy and thermodynamically stable crystalline states as reversibly switchable state variables. We demonstrate PCM functions emerging from a charge-configuration degree of freedom in strongly correlated electron systems. Nonvolatile reversible switching between a high-resistivity charge-crystalline (or charge-ordered) state and a low-resistivity quenched state, charge glass, is achieved experimentally via heat pulses supplied by optical or electrical means in organic conductors θ -(BEDT-TTF)2X . Switching that is one order of magnitude faster is observed in another isostructural material that requires faster cooling to kinetically avoid charge crystallization, indicating that the material's critical cooling rate can be useful guidelines for pursuing a faster correlated-electron PCM function.

  19. 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

  20. 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.

  1. Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

    NASA Astrophysics Data System (ADS)

    Smith, J. C.; Pribram-Jones, A.; Burke, K.

    2016-06-01

    Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. We extract various exact free-energy correlation components and the exact adiabatic connection formula.

  2. Correlation functions of integrable models: A description of the ABACUS algorithm

    NASA Astrophysics Data System (ADS)

    Caux, Jean-Sébastien

    2009-09-01

    Recent developments in the theory of integrable models have provided the means of calculating dynamical correlation functions of some important observables in systems such as Heisenberg spin chains and one-dimensional atomic gases. This article explicitly describes how such calculations are generally implemented in the ABACUS C++ library, emphasizing the universality in treatment of different cases coming as a consequence of unifying features within the Bethe ansatz.

  3. Urinary NGAL Levels Correlate with Differential Renal Function in Patients with Ureteropelvic Junction Obstruction Undergoing Pyeloplasty

    PubMed Central

    Cost, Nicholas G.; Noh, Paul H.; Devarajan, Prasad; Ivancic, Vesna; Reddy, Pramod P.; Minevich, Eugene; Bennett, Michael; Haffner, Christopher; Schulte, Marion; DeFoor, W. Robert

    2014-01-01

    Purpose: Recent investigations described the use of NGAL, a sensitive biomarker for kidney injury, in the setting of ureteropelvic junction obstruction. We prospectively evaluated urinary NGAL levels in the affected renal pelvis and bladder of children with ureteropelvic junction obstruction undergoing unilateral dismembered pyeloplasty. Our hypothesis was that higher NGAL in the kidney and bladder would correlate with decreased ipsilateral differential function. Materials and Methods: We performed a prospective cohort study in patients treated with unilateral dismembered pyeloplasty from 2010 to 2012. Urine was obtained intraoperatively from the bladder and obstructed renal pelvis. A control population of unaffected children was recruited to provide a voided bladder specimen. Bladder NGAL levels were compared between the study and control populations. We tested our study hypothesis by correlating bladder and renal pelvic NGAL levels with the differential renal function of the affected kidney. Results: A total of 61 patients with a median age at surgery of 1.62 years (range 0.12 to 18.7) were enrolled in the study. Median bladder NGAL was 18.6 ng/mg (range 1.4-1,650.8) and median renal pelvic NGAL was 26.2 ng/mg (range 1.2-18,034.5, p = 0.004). Median bladder NGAL was significantly higher than in controls (p = 0.004). The correlation of bladder and renal pelvic NGAL with differential renal function was r = −0.359 (p = 0.004) and r = −0.383 (p = 0.002), respectively. Conclusions: Bladder NGAL is increased in children with ureteropelvic junction obstruction. Renal pelvic and bladder normalized urinary NGAL levels correlate inversely with the relative function of the affected kidney in cases of unilateral ureteropelvic junction obstruction. PMID:23791906

  4. 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.

  5. Correlation functions of a just renormalizable tensorial group field theory: the melonic approximation

    NASA Astrophysics Data System (ADS)

    Ousmane Samary, Dine; Pérez-Sánchez, Carlos I.; Vignes-Tourneret, Fabien; Wulkenhaar, Raimar

    2015-09-01

    The D-colored version of tensor models has been shown to admit a large N-limit expansion. The leading contributions result from so-called melonic graphs which are dual to the D-sphere. This is a note about the Schwinger-Dyson equations of the tensorial {\\varphi }54-model (with propagator 1/{{p}}2) and their melonic approximation. We derive the master equations for two- and four-point correlation functions and discuss their solution.

  6. Statistics of time delay and scattering correlation functions in chaotic systems. I. Random matrix theory

    SciTech Connect

    Novaes, Marcel

    2015-06-15

    We consider the statistics of time delay in a chaotic cavity having M open channels, in the absence of time-reversal invariance. In the random matrix theory approach, we compute the average value of polynomial functions of the time delay matrix Q = − iħS{sup †}dS/dE, where S is the scattering matrix. Our results do not assume M to be large. In a companion paper, we develop a semiclassical approximation to S-matrix correlation functions, from which the statistics of Q can also be derived. Together, these papers contribute to establishing the conjectured equivalence between the random matrix and the semiclassical approaches.

  7. 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. Proteins 2016; 84:655-665. © 2016 Wiley Periodicals, Inc. PMID:26873882

  8. Wavefront propagation in turbulence: an unified approach to the derivation of angular correlation functions.

    PubMed

    Molodij, Guillaume

    2011-08-01

    A general expression of the spatial correlation functions of quantities related to the phase fluctuations of a wave that have propagated through the atmospheric turbulence are derived. A generalization of the method to integrand containing the product of an arbitrary number of hypergeometric functions is presented. The formalism is able to give the coefficients of phase-expansion functions orthogonal over an arbitrary circularly symmetric weighting function for an isotropic turbulence spectrum, as well as to describe the effect of the finite outer and inner scales of the turbulence and to describe the spherical propagation or to derive the effects of the analytical operators acting on the phase such as the derivatives of any order. The derivation of the generalized integrals with multiparameters is based on the Mellin transforms integration method. PMID:21811336

  9. Analytic representations of bath correlation functions for ohmic and superohmic spectral densities using simple poles

    SciTech Connect

    Ritschel, Gerhard; Eisfeld, Alexander

    2014-09-07

    We present a scheme to express a bath correlation function (BCF) corresponding to a given spectral density (SD) as a sum of damped harmonic oscillations. Such a representation is needed, for example, in many open quantum system approaches. To this end we introduce a class of fit functions that enables us to model ohmic as well as superohmic behavior. We show that these functions allow for an analytic calculation of the BCF using pole expansions of the temperature dependent hyperbolic cotangent. We demonstrate how to use these functions to fit spectral densities exemplarily for cases encountered in the description of photosynthetic light harvesting complexes. Finally, we compare absorption spectra obtained for different fits with exact spectra and show that it is crucial to take properly into account the behavior at small frequencies when fitting a given SD.

  10. Computer/gaming station use in youth: Correlations among use, addiction and functional impairment

    PubMed Central

    Baer, Susan; Saran, Kelly; Green, David A

    2012-01-01

    OBJECTIVE: Computer/gaming station use is ubiquitous in the lives of youth today. Overuse is a concern, but it remains unclear whether problems arise from addictive patterns of use or simply excessive time spent on use. The goal of the present study was to evaluate computer/gaming station use in youth and to examine the relationship between amounts of use, addictive features of use and functional impairment. METHOD: A total of 110 subjects (11 to 17 years of age) from local schools participated. Time spent on television, video gaming and non-gaming recreational computer activities was measured. Addictive features of computer/gaming station use were ascertained, along with emotional/behavioural functioning. Multiple linear regressions were used to understand how youth functioning varied with time of use and addictive features of use. RESULTS: Mean (± SD) total screen time was 4.5±2.4 h/day. Addictive features of use were consistently correlated with functional impairment across multiple measures and informants, whereas time of use, after controlling for addiction, was not. CONCLUSIONS: Youth are spending many hours each day in front of screens. In the absence of addictive features of computer/gaming station use, time spent is not correlated with problems; however, youth with addictive features of use show evidence of poor emotional/ behavioural functioning. PMID:24082802

  11. Extended self-energy functional approach for strongly correlated lattice bosons in the superfluid phase

    SciTech Connect

    Arrigoni, Enrico; Knap, Michael; Linden, Wolfgang von der

    2011-07-01

    Among the various numerical techniques to study the physics of strongly correlated quantum many-body systems, the self-energy functional approach (SFA) has become increasingly important. In its previous form, however, SFA is not applicable to Bose-Einstein condensation or superfluidity. In this paper, we show how to overcome this shortcoming. To this end, we identify an appropriate quantity, which we term D, that represents the correlation correction of the condensate order parameter, as it does the self-energy for Green's function. An appropriate functional is derived, which is stationary at the exact physical realization of D and of the self-energy. Its derivation is based on a functional-integral representation of the grand potential followed by an appropriate sequence of Legendre transformations. The approach is not perturbative and, therefore, applicable to a wide range of models with local interactions. We show that the variational cluster approach based on the extended self-energy functional is equivalent to the ''pseudoparticle'' approach proposed in Phys. Rev. B 83, 134507 (2011). We present results for the superfluid density in the two-dimensional Bose-Hubbard model, which shows a remarkable agreement with those of quantum-Monte-Carlo calculations.

  12. 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.

  13. Various velocity correlations functions in a Lorentz gas - simulation and mode coupling theory

    NASA Astrophysics Data System (ADS)

    Lowe, C. P.; Masters, A. J.

    1995-02-01

    We present computer simulation results for several types of velocity correlation function in the two dimensional, overlapping Lorentz gas. Only the normal velocity autocorrelation function, whose integral gives the diffusion constant, shows obvious anomalous behaviour at the percolation transition. The other functions are fairly well approximated by the Lorentz-Boltzmann equation, even for densities at which the travelling particle is trapped. We do, however, at a sub-percolation density, examine the long time behaviour of the autocorrelation function corresponding to the second rank, irreducible tensor of the velocity, and find an algebraic decay with an exponent of 3.0 ± 0.1, consistent with the theoretically expected value of 3. With these observations in mind we re-examine the mode coupling theory of Götze, Leutheusser and Yip (Phys. Rev. A 23 (1981) 2634,) replacing their one (frequency dependent) relaxation time approximation to a kinetic operator by a two (frequency dependent) relaxation time model. We find that this leads to a significantly better estimate of the diffusions constant at low density. Furthermore the theory correctly predicts no striking anomalous behaviour in the types of velocity correlation function that are unrelated to diffusion as the percolation threshold is crossed.

  14. Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper

    NASA Astrophysics Data System (ADS)

    Fishman, Matthew; Zhuang, Houlong L.; Mathew, Kiran; Dirschka, William; Hennig, Richard G.

    2013-06-01

    Surface energies are important for predicting the shapes of nanocrystals and describing the faceting and roughening of surfaces. Copper surfaces are of particular interest in recent years since they are the preferred surfaces for growing graphene using chemical vapor deposition. In this study we calculate the surface energies of copper for the three low-index facets (111), (100), and (110) and one high-index facet, (210), using density-functional theory with both the local-density approximation and various parametrizations of the generalized-gradient approximation to the exchange-correlation functional. To assess the accuracy of the different functionals, we obtain the average surface energies of an isotropic crystal using a broken-bond model. We use this method, which can be generalized to other crystal structures, to compare calculated surface energies to experimental surface energies for fcc crystals. We find that the recent exchange-correlation functionals AM05 and PBEsol are the most accurate functionals for calculating the surface energies of copper. To determine how solvents affect the surface energies of copper, we perform calculations using a continuum solvation model. We find that aqueous solvation changes the overall magnitude of the surface energies only slightly but leads to more isotropic surface energies.

  15. Clinical Correlates of Awareness for Balance, Function, and Memory: Evidence for the Modality Specificity of Awareness

    PubMed Central

    O'Connell, Megan E.; Crossley, Margaret; Morgan, Debra

    2014-01-01

    Awareness in dementia is increasingly recognized not only as multifactorial, but also as domain specific. We demonstrate differential clinical correlates for awareness of daily function, awareness of memory, and the novel exploration of awareness of balance. Awareness of function was higher for participants with mild cognitive impairment (aMCI and non-aMCI) than for those with dementia (due to Alzheimer disease; AD and non-AD), whereas awareness of memory was higher for both non-aMCI and non-AD dementia patients than for those with aMCI or AD. Balance awareness did not differ based on diagnostic subgroup. Awareness of function was associated with instrumental activities of daily living and caregiver burden. In contrast, awareness of balance was associated with fall history, balance confidence, and instrumental activities of daily living. Clinical correlates of awareness of memory depended on diagnostic group: associations held with neuropsychological variables for non-AD dementia, but for patients with AD dementia, depression and instrumental activities of daily living were clinical correlates of memory awareness. Together, these data provide support for the hypothesis that awareness and dementia are not unitary and are, instead, modality specific. PMID:24551452

  16. Motor Coordination Correlates with Academic Achievement and Cognitive Function in Children.

    PubMed

    Fernandes, Valter R; Ribeiro, Michelle L Scipião; Melo, Thais; de Tarso Maciel-Pinheiro, Paulo; Guimarães, Thiago T; Araújo, Narahyana B; Ribeiro, Sidarta; Deslandes, Andréa C

    2016-01-01

    The relationship between exercise and cognition is an important topic of research that only recently began to unravel. Here, we set out to investigate the relation between motor skills, cognitive function, and school performance in 45 students from 8 to 14 years of age. We used a cross-sectional design to evaluate motor coordination (Touch Test Disc), agility (Shuttle Run Speed-running back and forth), school performance (Academic Achievement Test), the Stroop test, and six sub-tests of the Wechsler Intelligence Scale for Children-IV (WISC-IV). We found, that the Touch Test Disc was the best predictor of school performance (R (2) = 0.20). Significant correlations were also observed between motor coordination and several indices of cognitive function, such as the total score of the Academic Achievement Test (AAT; Spearman's rho = 0.536; p ≤ 0.001), as well as two WISC-IV sub-tests: block design (R = -0.438; p = 0.003) and cancelation (rho = -0.471; p = 0.001). All the other cognitive variables pointed in the same direction, and even correlated with agility, but did not reach statistical significance. Altogether, the data indicate that visual motor coordination and visual selective attention, but not agility, may influence academic achievement and cognitive function. The results highlight the importance of investigating the correlation between physical skills and different aspects of cognition. PMID:27014130

  17. Small-angle neutron scattering correlation functions of bulk magnetic materials

    PubMed Central

    Mettus, Denis; Michels, Andreas

    2015-01-01

    On the basis of the continuum theory of micromagnetics, the correlation function of the spin-misalignment small-angle neutron scattering cross section of bulk ferromagnets (e.g. elemental polycrystalline ferromagnets, soft and hard magnetic nanocomposites, nanoporous ferromagnets, or magnetic steels) is computed. For such materials, the spin disorder which is related to spatial variations in the saturation magnetization and magnetic anisotropy field results in strong spin-misalignment scattering dΣM/dΩ along the forward direction. When the applied magnetic field is perpendicular to the incoming neutron beam, the characteristics of dΣM/dΩ (e.g. the angular anisotropy on a two-dimensional detector or the asymptotic power-law exponent) are determined by the ratio of magnetic anisotropy field strength H p to the jump ΔM in the saturation magnetization at internal interfaces. Here, the corresponding one- and two-dimensional real-space correlations are analyzed as a function of applied magnetic field, the ratio H p/ΔM, the single-particle form factor and the particle volume fraction. Finally, the theoretical results for the correlation function are compared with experimental data on nanocrystalline cobalt and nickel. PMID:26500464

  18. The anisotropic line correlation function as a probe of anisotropies in galaxy surveys

    NASA Astrophysics Data System (ADS)

    Eggemeier, A.; Battefeld, T.; Smith, R. E.; Niemeyer, J.

    2015-10-01

    We propose an anisotropic generalization of the line correlation function (ALCF) to separate and quantify phase information in the large-scale structure of galaxies. The line correlation function probes the strictly non-linear regime of structure formation and since phase information drops out of the power spectrum, the line correlation function provides a complementary tool to commonly used techniques based on two-point statistics. Furthermore, it is independent of linear bias as well as the Gaussian variance on the modulus of the density field and thus may also prove to be advantageous compared to the bispectrum or similar higher order statistics for certain cases. For future applications, it is vital, though, to be able to account for observational effects that cause anisotropies in the distribution of galaxies. Based on a number of numerical studies, we find that our ALCF is well suited to accomplish this task and we demonstrate how the Alcock-Paczyński effect and kinematical redshift-space distortions can in principle be measured via the ALCF.

  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. Motor Coordination Correlates with Academic Achievement and Cognitive Function in Children

    PubMed Central

    Fernandes, Valter R.; Ribeiro, Michelle L. Scipião; Melo, Thais; de Tarso Maciel-Pinheiro, Paulo; Guimarães, Thiago T.; Araújo, Narahyana B.; Ribeiro, Sidarta; Deslandes, Andréa C.

    2016-01-01

    The relationship between exercise and cognition is an important topic of research that only recently began to unravel. Here, we set out to investigate the relation between motor skills, cognitive function, and school performance in 45 students from 8 to 14 years of age. We used a cross-sectional design to evaluate motor coordination (Touch Test Disc), agility (Shuttle Run Speed—running back and forth), school performance (Academic Achievement Test), the Stroop test, and six sub-tests of the Wechsler Intelligence Scale for Children-IV (WISC-IV). We found, that the Touch Test Disc was the best predictor of school performance (R2 = 0.20). Significant correlations were also observed between motor coordination and several indices of cognitive function, such as the total score of the Academic Achievement Test (AAT; Spearman's rho = 0.536; p ≤ 0.001), as well as two WISC-IV sub-tests: block design (R = −0.438; p = 0.003) and cancelation (rho = −0.471; p = 0.001). All the other cognitive variables pointed in the same direction, and even correlated with agility, but did not reach statistical significance. Altogether, the data indicate that visual motor coordination and visual selective attention, but not agility, may influence academic achievement and cognitive function. The results highlight the importance of investigating the correlation between physical skills and different aspects of cognition. PMID:27014130

  1. The two-point correlation function of randomly distributed Lyman alpha clouds

    NASA Technical Reports Server (NTRS)

    Fardal, Mark A.; Shull, J. Michael

    1993-01-01

    It is often assumed that Ly-alpha forest clouds are randomly distributed, intergalactic objects that are highly ionized by the UV background produced by quasars. If these assumptions are true, fluctuations in the UV background should produce a nonzero two point correlation function in the Ly-alpha forest. This effect, which is really just a generalization of the proximity effect, is more significant at high redshift (z is approximately 3-4) because the mean free path for UV photons is smaller there, and the fluctuations correspondingly larger. This effect was studied using both the semi-analytic techniques of Zuo's recent papers and Monte Carlo simulations. The correlation function is expected to have a small yet potentially measurable amplitude that is consistent with current upper limits. Furthermore, the signature of this effect is distinctive because the nonzero correlation function extends over the photon mean free path, which is larger than the expected scale of large-scale structure. Observations or upper limits on this effect could provide information about the source of the ionizing background at high redshifts and the nature of the Ly-alpha forest clouds.

  2. On the cross correlation function amplitude vector and its application to structural damage detection

    NASA Astrophysics Data System (ADS)

    Yang, Zhichun; Yu, Zhefeng; Sun, Hao

    2007-10-01

    A new approach to detecting structure damage using the cross correlation function amplitude vector (CorV) of the measured vibration responses is proposed. It is verified that under a steady random excitation with specific frequency spectrum, the CorV of a structure only depends on the frequency response function matrix of the structure, and it is also found that the normalized CorV has a specific shape. Thus the damage can be detected and located with the correlation and the relative difference between the CorVs obtained from intact and damaged structures. The Cross Correlation Function Amplitude Vector Assurance Criterion (CVAC) is then defined and can be used to quantify the variation of CorV. It is found that the CVAC decreases monotonously with the increasing of damage factor, which indicates the change of CorV is related to the damage severity. The methods of damage locating with CorV are then proposed and demonstrated by the experiments. Finally, the experiment on detection in the fasteners loosing of an aircraft panel model are presented to illustrate the application of the CorV. The feature of this approach lies in that the CorV is obtained from the time domain vibration responses of the structure under steady random excitation, and it has the advantages of simplicity in calculation and the damage detection, so it is possible that the presented approach applies to the structural health monitoring (SHM) with steady ambient excitations.

  3. Correlation functions for the fractional generalized Langevin equation in the presence of internal and external noise

    SciTech Connect

    Sandev, Trifce; Metzler, Ralf; Department of Physics, Tampere University of Technology, FI-33101 Tampere ; Tomovski, Živorad

    2014-02-15

    We study generalized fractional Langevin equations in the presence of a harmonic potential. General expressions for the mean velocity and particle displacement, the mean squared displacement, position and velocity correlation functions, as well as normalized displacement correlation function are derived. We report exact results for the cases of internal and external friction, that is, when the driving noise is either internal and thus the fluctuation-dissipation relation is fulfilled or when the noise is external. The asymptotic behavior of the generalized stochastic oscillator is investigated, and the case of high viscous damping (overdamped limit) is considered. Additional behaviors of the normalized displacement correlation functions different from those for the regular damped harmonic oscillator are observed. In addition, the cases of a constant external force and the force free case are obtained. The validity of the generalized Einstein relation for this process is discussed. The considered fractional generalized Langevin equation may be used to model anomalous diffusive processes including single file-type diffusion.

  4. Asymptotic decay of the pair correlation function in molecular fluids: Application to hard rods

    NASA Astrophysics Data System (ADS)

    Savenko, S. V.; Dijkstra, Marjolein

    2005-08-01

    We investigate the asymptotic decay of the total correlation function h(1,2) in molecular fluids. To this end, we expand the angular dependence of h(1,2) and the direct correlation function c(1,2) in the Ornstein-Zernike equation in a complete set of rotational invariants. We show that all the harmonic expansion coefficients hl1l2l(r) are governed by a common exponential decay length and a common wavelength of oscillations in the isotropic phase. We determine the asymptotic decay of the total correlation functions by investigating the pole structure of the reciprocal ( q -space) harmonic expansion coefficients hl1l2l(q) . The expansion coefficients in laboratory frame of reference hl1l2l(r) are calculated in computer simulations for an isotropic fluid of hard spherocylinders. We find that the asymptotic decay of h(1,2) is exponentially damped oscillatory for hard spherocylinders with a length-to-diameter ratio L/D⩽10 for all statepoints in the isotropic fluid phase. We compare our results on the pole structure using different theoretical Ansätze for c(1,2) for hard ellipsoids. The theoretical results show that the asymptotic decay of h(1,2) is exponentially damped oscillatory for all elongations of the ellipsoids.

  5. Spectral correlation functions of the sum of two independent complex Wishart matrices with unequal covariances

    NASA Astrophysics Data System (ADS)

    Akemann, Gernot; Checinski, Tomasz; Kieburg, Mario

    2016-08-01

    We compute the spectral statistics of the sum H of two independent complex Wishart matrices, each of which is correlated with a different covariance matrix. Random matrix theory enjoys many applications including sums and products of random matrices. Typically ensembles with correlations among the matrix elements are much more difficult to solve. Using a combination of supersymmetry, superbosonisation and bi-orthogonal functions we are able to determine all spectral k-point density correlation functions of H for arbitrary matrix size N. In the half-degenerate case, when one of the covariance matrices is proportional to the identity, the recent results by Kumar for the joint eigenvalue distribution of H serve as our starting point. In this case the ensemble has a bi-orthogonal structure and we explicitly determine its kernel, providing its exact solution for finite N. The kernel follows from computing the expectation value of a single characteristic polynomial. In the general non-degenerate case the generating function for the k-point resolvent is determined from a supersymmetric evaluation of the expectation value of k ratios of characteristic polynomials. Numerical simulations illustrate our findings for the spectral density at finite N and we also give indications how to do the asymptotic large-N analysis.

  6. Site-site direct correlation functions for three popular molecular models of liquid water

    NASA Astrophysics Data System (ADS)

    Zhao, Shuangliang; Liu, Yu; Liu, Honglai; Wu, Jianzhong

    2013-08-01

    Direct correlation functions (DCFs) play a pivotal role in the applications of classical density functional theory (DFT) to addressing the thermodynamic properties of inhomogeneous systems beyond the local-density or mean-field approximations. Whereas numerous studies have been dedicated to the radial distribution functions of liquid water - the most important solvent on earth, relatively little attention has been given to the site-site DCFs. The water DCFs are long-ranged and difficult to calculate directly by simulation, and the predictions from conventional liquid-state theories have been rarely calibrated. Here we report a computational procedure for accurate evaluation of the site-site DCFs of liquid water based on three popular molecular models (viz., SPC, SPC/E, and TIP3P). The numerical results provide a benchmark for calibration of conventional liquid-state theories and fresh insights into development of new DFT methods. We show that: (1) the long-range behavior of the site-site DCFs depends on both the molecular model and the thermodynamic condition; (2) the asymptotic limit of DCFs at large distance does not follow the mean-spherical approximation (MSA); (3) individual site-site DCFs are long ranged (˜40 nm) but a summation of all DCF pairs exhibits only short-range behavior (˜1 nm or a few water diameters); (4) the site-site bridge correlation functions behave as the DCFs, i.e., they are also long-ranged while the summation of all bridge correlation functions is short ranged. Our analytical and numerical analyses of the DCFs provide some simple strategies for possible improvement of the numerical performance of conventional liquid-state theories.

  7. Serum Indicators Reflecting Gastric Function May Also Correlate with Other Extragastric Diseases

    PubMed Central

    Gong, Yuehua; Wang, Wei; Li, Yi; Yuan, Yuan

    2015-01-01

    Aim. Serological indicators of organ function can reveal intrinsic links between different organs. The present study aimed to determine the correlations of serum indicators for gastric and extragastric function. Methods. A total of 823 individuals were enrolled. Data on indicators reflecting blood lipids, blood glucose, indexes of stomach, kidney, liver, and thyroid function, and H. pylori IgG antibody level were collected. Results. As creatine (Cr) levels increased, PGI (pepsinogen I), PGII concentrations, and PGI/II ratio increased monotonically from 79.7 to 105.15 µg/L, 6.5 to 8.4 µg/L, and 11.97 to 12.27, respectively (P < 0.05). As thyroid peroxidase antibody (TPOAb) levels increased, PGI level decreased from 100.85 to 84 µg/L (P < 0.05) and as thyroid stimulating hormone (TSH) increased, PGI/II ratio increased monotonically from 11.54 to 12.68 (P < 0.05). As triglyceride (TG) levels increased, gastrin 17 (G17) concentrations increased monotonically from 1.73 to 2.7 pmol/L (P < 0.05). As serum glucose and glycated hemoglobin (HbA1C) increased, PGI/II concentrations increased monotonically from 11.98 to 12.67 and 9.7 to 13.54 (P < 0.05), respectively. Conclusions. Serum PG and G17 levels were associated with blood glucose and lipids, kidney function, and thyroid function but not with liver function. Serum indicators reflecting gastric function may correlate not only with primary diseases, but also with other extragastric diseases. PMID:26339238

  8. Amplitude Function of Asymptotic Correlations Along Charged Wall in Coulomb Fluids

    NASA Astrophysics Data System (ADS)

    Šamaj, Ladislav

    2016-05-01

    In classical semi-infinite Coulomb fluids, two-point correlation functions exhibit a slow inverse-power law decay along a uniformly charged wall. In this work, we concentrate on the corresponding amplitude function which depends on the distances of the two points from the wall. Recently Šamaj (J Stat Phys 161:227-249 2015), applying a technique of anticommuting variables to a 2D system of charged rectilinear wall with "counter-ions only", we derived a relation between the amplitude function and the density profile which holds for any temperature. In this paper, using the Möbius conformal transformation of particle coordinates in a disc, a new relation between the amplitude function and the density profile is found for that model. In all exactly solvable cases, the amplitude function factorizes itself in the two distances from the wall. Presupposing this factorization property at any temperature and using specific sum rules for semi-infinite geometries, a relation between the amplitude function of the charge-charge structure function and the charge profile is derived for many-component Coulomb fluids in any dimension.

  9. Amplitude Function of Asymptotic Correlations Along Charged Wall in Coulomb Fluids

    NASA Astrophysics Data System (ADS)

    Šamaj, Ladislav

    2016-07-01

    In classical semi-infinite Coulomb fluids, two-point correlation functions exhibit a slow inverse-power law decay along a uniformly charged wall. In this work, we concentrate on the corresponding amplitude function which depends on the distances of the two points from the wall. Recently Šamaj (J Stat Phys 161:227-249 2015), applying a technique of anticommuting variables to a 2D system of charged rectilinear wall with "counter-ions only", we derived a relation between the amplitude function and the density profile which holds for any temperature. In this paper, using the Möbius conformal transformation of particle coordinates in a disc, a new relation between the amplitude function and the density profile is found for that model. In all exactly solvable cases, the amplitude function factorizes itself in the two distances from the wall. Presupposing this factorization property at any temperature and using specific sum rules for semi-infinite geometries, a relation between the amplitude function of the charge-charge structure function and the charge profile is derived for many-component Coulomb fluids in any dimension.

  10. Polygonal Web Representation for Higher Order Correlation Functions of Consistent Polygonal Markov Fields in the Plane

    NASA Astrophysics Data System (ADS)

    Schreiber, Tomasz

    2010-08-01

    We consider polygonal Markov fields originally introduced by Arak in 4th USSR-Japan Symposium on Probability Theory and Mathematical Statistics, Abstracts of Communications, 1982; Arak and Surgailis in Probab. Theory Relat. Fields 80:543-579, 1989. Our attention is focused on fields with nodes of order two, which can be regarded as continuum ensembles of non-intersecting contours in the plane, sharing a number of salient features with the two-dimensional Ising model. The purpose of this paper is to establish an explicit stochastic representation for the higher-order correlation functions of polygonal Markov fields in their consistency regime. The representation is given in terms of the so-called crop functionals (defined by a Möbius-type formula) of polygonal webs which arise in a graphical construction dual to that giving rise to polygonal fields. The proof of our representation formula goes by constructing a martingale interpolation between the correlation functions of polygonal fields and crop functionals of polygonal webs.

  11. A novel joint sparse partial correlation method for estimating group functional networks.

    PubMed

    Liang, Xiaoyun; Connelly, Alan; Calamante, Fernando

    2016-03-01

    Advances in graph theory have provided a powerful tool to characterize brain networks. In particular, functional networks at group-level have great appeal to gain further insight into complex brain function, and to assess changes across disease conditions. These group networks, however, often have two main limitations. First, they are popularly estimated by directly averaging individual networks that are compromised by confounding variations. Secondly, functional networks have been estimated mainly through Pearson cross-correlation, without taking into account the influence of other regions. In this study, we propose a sparse group partial correlation method for robust estimation of functional networks based on a joint graphical models approach. To circumvent the issue of choosing the optimal regularization parameters, a stability selection method is employed to extract networks. The proposed method is, therefore, denoted as JGMSS. By applying JGMSS across simulated datasets, the resulting networks show consistently higher accuracy and sensitivity than those estimated using an alternative approach (the elastic-net regularization with stability selection, ENSS). The robustness of the JGMSS is evidenced by the independence of the estimated networks to choices of the initial set of regularization parameters. The performance of JGMSS in estimating group networks is further demonstrated with in vivo fMRI data (ASL and BOLD), which show that JGMSS can more robustly estimate brain hub regions at group-level and can better control intersubject variability than it is achieved using ENSS. PMID:26859311

  12. 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. PMID:26519048

  13. Correcting the surface intrinsic error in density functional calculations using present approximations of the exchange-correlation functional

    NASA Astrophysics Data System (ADS)

    Mattsson, A. E.; Mattsson, T. R.; Jennison, D. R.

    2003-03-01

    Based on the correction scheme presented in [1] we have developed a procedure to correct for the surface self-energy error (both exchange and correlation) in density functional calculations on real systems. The method works equally well for all approximations of the exchange-correlation functional, e.g. the local density and general gradient approximations. It has been successfully applied to Al, Pt, Pd, and Mo vacancy formation energies [2,3] and the Pd(111)/α-alumina work of adhesion [4]. We present the current status of our efforts and discuss how to extend the procedure to general systems. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. [1] A. E. Mattsson, W. Kohn, J. Chem. Phys. 115, 3441 (2001). [2] K. Carling et al, Phys. Rev. Lett. 85, 3862 (2000). [3] T. R. Mattsson, A. E. Mattsson, Phys. Rev. B (Dec. 2002). [4] A. E. Mattsson, D. R. Jennison, Surf. Sci. 58, L611 (2002).

  14. 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

  15. Disc Degeneration Assessed by Quantitative T2* (T2 star) Correlated with Functional Lumbar Mechanics

    PubMed Central

    Ellingson, Arin M.; Mehta, Hitesh; Polly, David W.; Ellermann, Jutta; Nuckley, David J.

    2013-01-01

    Study Design Experimental correlation study design to quantify features of disc health, including signal intensity and distinction between the annulus fibrosus (AF) and nucleus pulposus (NP), with T2* magnetic resonance imaging (MRI) and correlate with the functional mechanics in corresponding motion segments. Objective Establish the relationship between disc health assessed by quantitative T2* MRI and functional lumbar mechanics. Summary of Background Data Degeneration leads to altered biochemistry in the disc, affecting the mechanical competence. Clinical routine MRI sequences are not adequate in detecting early changes in degeneration and fails to correlate with pain or improve patient stratification. Quantitative T2* relaxation time mapping probes biochemical features and may offer more sensitivity in assessing disc degeneration. Methods Cadaveric lumbar spines were imaged using quantitative T2* mapping, as well as conventional T2-weighted MRI sequences. Discs were graded by the Pfirrmann scale and features of disc health, including signal intensity (T2* Intensity Area) and distinction between the AF and NP (Transition Zone Slope), were quantified by T2*. Each motion segment was subjected to pure moment bending to determine range of motion (ROM), neutral zone (NZ), and bending stiffness. Results T2* Intensity Area and Transition Zone Slope were significantly correlated with flexion ROM (p=0.015; p=0.002), ratio of NZ/ROM (p=0.010; p=0.028), and stiffness (p=0.044; p=0.026), as well as lateral bending NZ/ROM (p=0.005; p=0.010) and stiffness (p=0.022; p=0.029). T2* Intensity Area was also correlated with LB ROM (p=0.023). Pfirrmann grade was only correlated with lateral bending NZ/ROM (p=0.001) and stiffness (p=0.007). Conclusions T2* mapping is a sensitive quantitative method capable of detecting changes associated with disc degeneration. Features of disc health quantified with T2* predicted altered functional mechanics of the lumbar spine better than

  16. Modeling inhomogeneous van der Waals fluids using an analytical direct correlation function

    NASA Astrophysics Data System (ADS)

    Tang, Yiping; Wu, Jianzhong

    2004-07-01

    Rosenfeld’s perturbative method [J. Chem. Phys. 98, 8126 (1993)] for constructing the Helmholtz energy functional of classical systems is applied to studying inhomogeneous Lennard-Jones fluids, in which the key input—the bulk direct correlation function—is obtained from the first-order mean-spherical approximation (FMSA) [J. Chem. Phys. 118, 4140 (2003)]. Preserving its high fidelity at the bulk limit, the FMSA shows stable and satisfactory performance for a variety of inhomogeneous Lennard-Jones fluids including those near hard walls, inside slit pores, and around colloidal particles. In addition, the inhomogeneous FMSA reproduces reliably the radial distribution function at its bulk limit. The FMSA is found, in particular, much better than the mean-field theory for fluids near hard surfaces. Unlike alternative non-mean-field approaches, the FMSA is computationally as efficient as the mean-field theory, free of any numerical determination of structure information, weight functions, or empirical parameters.

  17. Renormalization group improved computation of correlation functions in theories with nontrivial phase diagram

    NASA Astrophysics Data System (ADS)

    Codello, Alessandro; Tonero, Alberto

    2016-07-01

    We present a simple and consistent way to compute correlation functions in interacting theories with nontrivial phase diagram. As an example we show how to consistently compute the four-point function in three dimensional Z2 -scalar theories. The idea is to perform the path integral by weighting the momentum modes that contribute to it according to their renormalization group (RG) relevance, i.e. we weight each mode according to the value of the running couplings at that scale. In this way, we are able to encode in a loop computation the information regarding the RG trajectory along which we are integrating. We show that depending on the initial condition, or initial point in the phase diagram, we obtain different behaviors of the four-point function at the endpoint of the flow.

  18. Waveform modeling and inversion of ambient noise cross-correlation functions in a coastal ocean environment.

    PubMed

    Zang, Xiaoqin; Brown, Michael G; Godin, Oleg A

    2015-09-01

    Theoretical studies have shown that cross-correlation functions (CFs) of time series of ambient noise measured at two locations yield approximations to the Green's functions (GFs) that describe propagation between those locations. Specifically, CFs are estimates of weighted GFs. In this paper, it is demonstrated that measured CFs in the 20-70 Hz band can be accurately modeled as weighted GFs using ambient noise data collected in the Florida Straits at ∼100 m depth with horizontal separations of 5 and 10 km. Two weighting functions are employed. These account for (1) the dipole radiation pattern produced by a near-surface source, and (2) coherence loss of surface-reflecting energy in time-averaged CFs resulting from tidal fluctuations. After describing the relationship between CFs and GFs, the inverse problem is considered and is shown to result in an environmental model for which agreement between computed and simulated CFs is good. PMID:26428771

  19. David Adler Lectureship Award: n-point Correlation Functions in Heterogeneous Materials.

    NASA Astrophysics Data System (ADS)

    Torquato, Salvatore

    2009-03-01

    The determination of the bulk transport, electromagnetic, mechanical, and optical properties of heterogeneous materials has a long and venerable history, attracting the attention of some of the luminaries of science, including Maxwell, Lord Rayleigh, and Einstein. The bulk properties can be shown to depend rigorously upon infinite sets of various n-point correlation functions. Many different types of correlation functions arise, depending on the physics of the problem. A unified approach to characterize the microstructure and bulk properties of a large class of disordered materials is developed [S. Torquato, Random Heterogeneous Materials: Microstructure and Macroscopic Properties (Springer-Verlag, New York, 2002)]. This is accomplished via a canonical n-point function Hn from which one can derive exact analytical expressions for any microstructural function of interest. This microstructural information can then be used to estimate accurately the bulk properties of the material. Unlike homogeneous materials, seemingly different bulk properties (e.g., transport and mechanical properties) of a heterogeneous material can be linked to one another because of the common microstructure that they share. Such cross-property relations can be used to estimate one property given a measurement of another. A recently identified decorrelation principle, roughly speaking, refers to the phenomenon that unconstrained correlations that exist in low-dimensional disordered materials vanish as the space dimension becomes large. Among other results, this implies that in sufficiently high dimensions the densest spheres packings may be disordered (rather than ordered) [S. Torquato and F. H. Stillinger, ``New Conjectural Lower Bounds on the Optimal Density of Sphere Packings," Experimental Mathematics, 15, 307 (2006)].

  20. Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins.

    PubMed

    Desdouits, Nathan; Nilges, Michael; Blondel, Arnaud

    2015-02-01

    Protein conformation has been recognized as the key feature determining biological function, as it determines the position of the essential groups specifically interacting with substrates. Hence, the shape of the cavities or grooves at the protein surface appears to drive those functions. However, only a few studies describe the geometrical evolution of protein cavities during molecular dynamics simulations (MD), usually with a crude representation. To unveil the dynamics of cavity geometry evolution, we developed an approach combining cavity detection and Principal Component Analysis (PCA). This approach was applied to four systems subjected to MD (lysozyme, sperm whale myoglobin, Dengue envelope protein and EF-CaM complex). PCA on cavities allows us to perform efficient analysis and classification of the geometry diversity explored by a cavity. Additionally, it reveals correlations between the evolutions of the cavities and structures, and can even suggest how to modify the protein conformation to induce a given cavity geometry. It also helps to perform fast and consensual clustering of conformations according to cavity geometry. Finally, using this approach, we show that both carbon monoxide (CO) location and transfer among the different xenon sites of myoglobin are correlated with few cavity evolution modes of high amplitude. This correlation illustrates the link between ligand diffusion and the dynamic network of internal cavities. PMID:25424655

  1. 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.

  2. 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

  3. THORACOLUMBAR BURST FRACTURES: CORRELATION BETWEEN KYPHOSIS AND FUNCTION POST NON-OPERATIVE TREATMENT

    PubMed Central

    Avanzi, Osmar; Meves, Robert; Silber Caffaro, Maria Fernanda; Buarque de Hollanda, João Paris; Queiroz, Marcelo

    2015-01-01

    Objective: To assess the correlation between kyphosis and post-traumatic symptoms in patients undergoing conservative treatment for thoracolumbar burst fractures. Methods: A retrospective study was carried out with 36 patients meeting the inclusion criteria for this kind of fracture classified as Denis and Magerl's subtype A3 and treated with anti-gravitational casting or TLSO. The mean age of patients was 50.83 years, ranging from 13 to 83 years, being 20 male and 16 female subjects. The treatment outcome was evaluated based on the SF-36 questionnaire, on Denis scores for pain and work and Frankel clinical and neurological scale. The quantification of pain was based on the visual analogue scale for pain. The measurement of the residual kyphosis was obtained by the Cobb method at admission and at the end of the follow-up. Results: A weak positive correlation (r = 0.563; p > 0.001) was found between residual kyphosis and pain score (EVA). No correlation was found between final kyphosis and SF-36 and Denis scores (p > 0.05). Conclusion: There is no evident correlation between residual kyphosis, functional outcome and patients' symptoms. PMID:27004188

  4. Neural correlates underlying mental calculation in abacus experts: a functional magnetic resonance imaging study.

    PubMed

    Hanakawa, Takashi; Honda, Manabu; Okada, Tomohisa; Fukuyama, Hidenao; Shibasaki, Hiroshi

    2003-06-01

    Experts of abacus operation demonstrate extraordinary ability in mental calculation. There is psychological evidence that abacus experts utilize a mental image of an abacus to remember and manipulate large numbers in solving problems; however, the neural correlates underlying this expertise are unknown. Using functional magnetic resonance imaging, we compared the neural correlates associated with three mental-operation tasks (numeral, spatial, verbal) among six experts in abacus operations and eight nonexperts. In general, there was more involvement of neural correlates for visuospatial processing (e.g., right premotor and parietal areas) for abacus experts during the numeral mental-operation task. Activity of these areas and the fusiform cortex was correlated with the size of numerals used in the numeral mental-operation task. Particularly, the posterior superior parietal cortex revealed significantly enhanced activity for experts compared with controls during the numeral mental-operation task. Comparison with the other mental-operation tasks indicated that activity in the posterior superior parietal cortex was relatively specific to computation in 2-dimensional space. In conclusion, mental calculation of abacus experts is likely associated with enhanced involvement of the neural resources for visuospatial information processing in 2-dimensional space. PMID:12814580

  5. Calculation of the two-electron Darwin term using explicitly correlated wave functions

    NASA Astrophysics Data System (ADS)

    Middendorf, Nils; Höfener, Sebastian; Klopper, Wim; Helgaker, Trygve

    2012-06-01

    This article is concerned with the calculation of the two-electron Darwin term (D2). At the level of explicitly correlated second-order perturbation theory (MP2-F12), the D2 term is obtained as an analytic energy derivative; at the level of explicitly correlated coupled-cluster theory, it is obtained from finite differences. To avoid the calculation of four-center integrals, a density-fitting approximation is applied to the D2 two-electron integrals without loss of accuracy, even though the absolute value of the D2 term is typically about 0.1 mEh. Explicitly correlated methods provide a qualitatively correct description of the short-range region around the Coulomb hole, even for small orbital basis sets. Therefore, explicitly correlated wave functions remedy the otherwise extremely slow convergence of the D2 contribution with respect to the basis-set size, yielding more accurate results than those obtained by two-point basis-set extrapolation. Moreover, we show that the interference correction of Petersson's complete-basis-set model chemistry can be used to compute a D2 basis-set correction at the MP2-F12 level to improve standard coupled-cluster singles-and-doubles results.

  6. On exact correlation functions in SU( N) N=2 superconformal QCD

    NASA Astrophysics Data System (ADS)

    Baggio, Marco; Niarchos, Vasilis; Papadodimas, Kyriakos

    2015-11-01

    We consider the exact coupling constant dependence of extremal correlation functions of N=2 chiral primary operators in 4d N=2 superconformal gauge theories with gauge group SU( N) and N f = 2 N massless fundamental hypermultiplets. The 2- and 3-point functions, viewed as functions of the exactly marginal coupling constant and theta angle, obey the tt * equations. In the case at hand, the tt * equations form a set of complicated non-linear coupled matrix equations. We point out that there is an ad hoc self-consistent ansatz that reduces this set of partial differential equations to a sequence of decoupled semi-infinite Toda chains, similar to the one encountered previously in the special case of SU(2) gauge group. This ansatz requires a surprising new non-renormalization theorem in N=2 superconformal field theories. We derive a general 3-loop perturbative formula for 2- and 3-point functions in the N=2 chiral ring of the SU( N) theory, and in all explicitly computed examples we find agreement with the tt * equations, as well as the above-mentioned ansatz. This is suggestive evidence for an interesting non-perturbative conjecture about the structure of the N=2 chiral ring in this class of theories. We discuss several implications of this conjecture. For example, it implies that the holonomy of the vector bundles of chiral primaries over the superconformal manifold is reducible. It also implies that a specific subset of extremal correlation functions can be computed in the SU( N) theory using information solely from the S 4 partition function of the theory obtained by supersymmetric localization.

  7. The neuronal correlates of intranasal trigeminal function-an ALE meta-analysis of human functional brain imaging data.

    PubMed

    Albrecht, Jessica; Kopietz, Rainer; Frasnelli, Johannes; Wiesmann, Martin; Hummel, Thomas; Lundström, Johan N

    2010-03-01

    Almost every odor we encounter in daily life has the capacity to produce a trigeminal sensation. Surprisingly, few functional imaging studies exploring human neuronal correlates of intranasal trigeminal function exist, and results are to some degree inconsistent. We utilized activation likelihood estimation (ALE), a quantitative voxel-based meta-analysis tool, to analyze functional imaging data (fMRI/PET) following intranasal trigeminal stimulation with carbon dioxide (CO(2)), a stimulus known to exclusively activate the trigeminal system. Meta-analysis tools are able to identify activations common across studies, thereby enabling activation mapping with higher certainty. Activation foci of nine studies utilizing trigeminal stimulation were included in the meta-analysis. We found significant ALE scores, thus indicating consistent activation across studies, in the brainstem, ventrolateral posterior thalamic nucleus, anterior cingulate cortex, insula, precentral gyrus, as well as in primary and secondary somatosensory cortices-a network known for the processing of intranasal nociceptive stimuli. Significant ALE values were also observed in the piriform cortex, insula, and the orbitofrontal cortex, areas known to process chemosensory stimuli, and in association cortices. Additionally, the trigeminal ALE statistics were directly compared with ALE statistics originating from olfactory stimulation, demonstrating considerable overlap in activation. In conclusion, the results of this meta-analysis map the human neuronal correlates of intranasal trigeminal stimulation with high statistical certainty and demonstrate that the cortical areas recruited during the processing of intranasal CO(2) stimuli include those outside traditional trigeminal areas. Moreover, through illustrations of the considerable overlap between brain areas that process trigeminal and olfactory information; these results demonstrate the interconnectivity of flavor processing. PMID:19913573

  8. The two-point correlation function for groups of galaxies in the Center for Astrophysics redshift survey

    NASA Technical Reports Server (NTRS)

    Ramella, Massimo; Geller, Margaret J.; Huchra, John P.

    1990-01-01

    The large-scale distribution of groups of galaxies selected from complete slices of the CfA redshift survey extension is examined. The survey is used to reexamine the contribution of group members to the galaxy correlation function. The relationship between the correlation function for groups and those calculated for rich clusters is discussed, and the results for groups are examined as an extension of the relation between correlation function amplitude and richness. The group correlation function indicates that groups and individual galaxies are equivalent tracers of the large-scale matter distribution. The distribution of group centers is equivalent to random sampling of the galaxy distribution. The amplitude of the correlation function for groups is consistent with an extrapolation of the amplitude-richness relation for clusters. The amplitude scaled by the mean intersystem separation is also consistent with results for richer clusters.

  9. On the correlation between surface morphology and electron work function of indium tin oxide

    NASA Astrophysics Data System (ADS)

    Xue, Mingshan; Wu, Hainan; Ou, Junfei; Wang, Fajun; Li, Xibao; Li, Wen; Jiang, Zhonghao

    2012-06-01

    The electron work function (EWF) is an important parameter of a semiconductor. The understanding of the correlation between the EWF and surface morphology is of much significance for revealing related photoelectric mechanisms. In this study, the surface of indium tin oxide (ITO) was treated by chemical corrosion or absorption of copper phthalocyanine molecules, and their changes in EWF were systematically investigated using scanning Kelvin probe. The decrease of the EWF with the increase of surface roughness was found. Based on a microcapacitor model, the correlation between the EWF and surface microstructures was built up, which was well consistent with the experimental results. These data are of help for improving the photoelectric behaviors of ITO-based devices by adjusting surface/interface structures.

  10. Estimating genetic covariance functions assuming a parametric correlation structure for environmental effects

    PubMed Central

    Meyer, Karin

    2001-01-01

    A random regression model for the analysis of "repeated" records in animal breeding is described which combines a random regression approach for additive genetic and other random effects with the assumption of a parametric correlation structure for within animal covariances. Both stationary and non-stationary correlation models involving a small number of parameters are considered. Heterogeneity in within animal variances is modelled through polynomial variance functions. Estimation of parameters describing the dispersion structure of such model by restricted maximum likelihood via an "average information" algorithm is outlined. An application to mature weight records of beef cow is given, and results are contrasted to those from analyses fitting sets of random regression coefficients for permanent environmental effects. PMID:11742630

  11. Generalized parton correlation functions for a spin-1/2 hadron

    SciTech Connect

    Stephan Meissner, Andreas Metz, Marc Schlegel

    2009-08-01

    The fully unintegrated, off-diagonal quark-quark correlator for a spin-1/2 hadron is parameterized in terms of so-called generalized parton correlation functions. Such objects, in particular, can be considered as mother distributions of generalized parton distributions on the one hand and transverse momentum dependent parton distributions on the other. Therefore, our study provides new, model-independent insights into the recently proposed nontrivial relations between generalized and transverse momentum dependent parton distributions. We find that none of these relations can be promoted to a model-independent status. As a by-product we obtain the first complete classification of generalized parton distributions beyond leading twist. The present paper is a natural extension of our previous corresponding analysis for spin-0 hadrons.

  12. Correlation functions of Sp(2 n) invariant higher-spin systems

    NASA Astrophysics Data System (ADS)

    Skvortsov, Evgeny; Sorokin, Dmitri; Tsulaia, Mirian

    2016-07-01

    We study the general structure of correlation functions in an Sp(2 n)-invariant formulation of systems of an infinite number of higher-spin fields. For n = 4 , 8 and 16 these systems comprise the conformal higher-spin fields in space-time dimensions D = 4 , 6 and 10, respectively, while when n = 2, one deals with conventional D = 3 conformal field theories of scalars and spinors. We show that for n > 2 the Sp(2 n) symmetry and current conservation makes the 3-point correlators of two (rank-one or rank-two) conserved currents with a scalar operator be that of free theory. This situation is analogous to the one in conventional conformal field theories, where conservation of higher-spin currents implies that the theories are free.

  13. Correlation between functional and binding activities of designer zinc-finger proteins

    PubMed Central

    Kang, Jong Seok

    2006-01-01

    Rapid progress in the ability to develop and utilize zinc-finger proteins with customized sequence specificity have led to their increasing use as tools for modulation of target gene transcription in the post-genomic era. In the present paper, a series of in vitro binding assays and in vivo reporter analyses were used to demonstrate that a zinc-finger protein can effectively specify a base at each position of the target site in vivo and that functional activity of the zinc-finger protein as either a transcriptional repressor or activator is positively correlated with its binding affinity. In addition, this correlation can be extended to artificial engineered zinc-finger proteins. These data suggest that the binding affinity of designer zinc-finger proteins with novel specificity might be a determinant for their ability to regulate transcription of a gene of interest. PMID:17176251

  14. 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

  15. Field equation of the correlation function of mass-density fluctuations for self-gravitating systems

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Chen, Qing

    2015-09-01

    We study the mass-density distribution of Newtonian self-gravitating systems. Modeling the system as a fluid in hydrostatical equilibrium, we obtain from first principles the field equation and its solution of the correlation function ξ(r) of the mass-density fluctuation itself. We apply this to studies of the large-scale structure of the Universe within a small redshift range. The equation shows that ξ(r) depends on the point mass m and the Jeans wavelength scale λ0, which are different for galaxies and clusters. It explains several long-standing prominent features of the observed clustering: that the profile of ξcc(r) of clusters is similar to ξgg(r) of galaxies, but with a higher amplitude and a longer correlation length, and that the correlation length increases with the mean separation between clusters as a universal scaling r0 ≃ 0.4d. Our solution ξ(r) also shows that the observed power-law correlation function of galaxies ξgg(r) ≃ (r0/r)1.7 is only valid in a range 1

  16. Using the Cross-Correlation Function to Evaluate the Quality of Eddy-Covariance Data

    NASA Astrophysics Data System (ADS)

    Qi, Yongfeng; Shang, Xiaodong; Chen, Guiying; Gao, Zhiqiu; Bi, Xueyan

    2015-11-01

    A cross-correlation test is proposed for evaluating the quality of 30-min eddy-covariance data. Cross-correlation as a function of time lag is computed for vertical velocity paired with temperature, humidity, and carbon dioxide concentration. High quality data have a dominant peak at zero time lag and approach zero within a time lag of 20 s. Poor quality data have erratic cross-correlation functions, which indicates that the eddy flux may no longer represent the energy and mass exchange between the atmospheric surface layer and the canopy, and such data should be rejected in post-data analyses. Eddy-covariance data over grassland in July 2004 are used to evaluate the proposed test. The results show that 17, 29, and 36 % of the available data should be rejected because of poor quality measurements of sensible heat, latent heat, and CO2 fluxes, respectively. The rejected data mainly occurred on calm nights and day/night transitions when the atmospheric surface layer became stable or neutrally stratified. We found no friction velocity (u_*) threshold below which all data should be rejected, a test that many other studies have implemented for rejecting questionable data. We instead found that some data with low u_* were reliable, whereas other data with higher u_* were not. The poor quality measurements collected under less than ideal conditions were replaced by using the mean diurnal variation gap-filling method. The correction for poor quality data shifted the daily average CO2 flux by +0.34 g C m^{-2} day^{-1}. After applying the quality-control test, the eddy CO2 fluxes did not display a clear dependence on u_*. The results suggest that the cross-correlation test is a potentially valuable step in evaluating the quality of eddy-covariance data.

  17. 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

  18. Correlation between ambulatory function and clinical factors in hemiplegic patients with intact single lateral corticospinal tract

    PubMed Central

    Hong, Ji Seong; Kim, Jong Moon; Kim, Hyoung Seop

    2016-01-01

    Abstract To define the relationship between the complete destruction of 1 lateral corticospinal tract (CST), as demonstrated by diffusion tensor imaging (DTI) tractography, and ambulatory function 6 months following stroke. Twenty-six adults (17 male, 9 female) with poststroke hemiplegia who were transferred to the physical medicine and rehabilitation department. Participants underwent DTI tractography, which showed that 1 lateral CST had been clearly destroyed. Functional ambulation classification (FAC) scores at admission, discharge, and 6 months after discharge were used to evaluate the patients’ ability to walk. The National Institutes of Health Stroke Scale (NIHSS) and the Korean version of the modified Barthel index (K-MBI) at admission, discharge, and 6 months after discharge were used to evaluate the degree of functional recovery. Of the 26 patients, 18 were nonambulatory (FAC level 1–3), and 8 were able to walk without support (FAC level 4–6). The type of stroke (infarction or hemorrhage), site of the lesion, spasticity of lower extremities, cranioplasty, and the time taken from onset to MRI were not statistically significantly correlated with the ability to walk. However, statistically significant correlations were found in relation to age, K-MBI scores, and initial NIHSS scores. Despite the complete damage to the lesion site and the preservation of 1 unilateral CST, as shown by DTI, good outcomes can be predicted on the basis of younger age, low NIHSS scores, and high MBI scores at onset. PMID:27495041

  19. Correlation functions for fully or partially state-resolved reactive scattering calculations.

    PubMed

    Manthe, Uwe; Welsch, Ralph

    2014-06-28

    Flux correlation functions and the quantum transition state concept are important tools for the accurate description of polyatomic reaction processes. Combined with the multi-configurational time-dependent Hartree approach, they facilitate rigorous full-dimensional calculations of cumulative and initial-state selected reaction probabilities for six atom reactions. In recent work [R. Welsch, F. Huarte-Larrañaga, and U. Manthe, J. Chem. Phys. 136, 064117 (2012)], an approach which allows one to calculate also state-to-state reaction probabilities within the quantum transition state concept has been introduced. This article presents further developments. Alternative generalized flux correlation functions are introduced and discussed. Equations for the calculation of fully state-resolved differential cross section using arbitrary definitions of the body fixed frame are derived. An approach for the efficient calculation of partially state-resolved observables as a function of the collision energy is introduced. Finally, numerical test studying the D + H2 reaction illustrate important aspects of the formalism. PMID:24985624

  20. 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

  1. 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

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

    PubMed

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

    2016-02-15

    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

  3. Correlation of macro and micro cardiovascular function during weightlessness and simulated weightlessness

    NASA Astrophysics Data System (ADS)

    Hutchins, P. M.; Marshburn, T. H.; Smith, T. L.; Osborne, S. W.; Lynch, C. D.; Moultsby, S. J.

    The investigation of cardiovascular function necessarily involves a consideration of the exchange of substances at the capillary. If cardiovascular function is compromised or in any way altered during exposure to zero gravity in space, then it stands to reason that microvascular function is also modified. We have shown that an increase in cardiac output similar to that reported during simulated weightlessness is associated with a doubling of the number of post-capillary venules and a reduction in the number of arterioles by 35%. If the weightlessness of space travel produces similar changes in cardiopulmonary volume and cardiac output, a reasonable expectation is that astronauts will undergo venous neovascularization. We have developed an animal model in which to correlate microvascular and systemic cardiovascular function. The microcirculatory preparation consists of a lightweight, thermoneutral chamber implanted around intact skeletal muscle on the back of a rat. Using this technique, the preformed microvasculature of the cutaneous maximus muscle may be observed in the conscious, unanesthetized animal. Microcirculatory variables which may be obtained include venular and arteriolar numbers, lengths and diameters, single vessel flow velocities, vasomotion, capillary hematocrit anastomoses and orders of branching. Systemic hemodynamic monitoring of cardiac output by electromagnetic flowmetry, and arterial and venous pressures allows correlation of macro- and microcirculatory changes at the same time, in the same animal. Observed and calculated hemodynamic variables also include pulse pressure, heart rate, stroke volume, total peripheral resistance, aortic compliance, minute work, peak aortic flow velocity and systolic time interval. In this manner, an integrated assessment of total cardiovascular function may be obtained in the same animal without the complicating influence of anesthetics.

  4. 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

  5. Ecogenomic Perspectives on Domains of Unknown Function: Correlation-Based Exploration of Marine Metagenomes

    PubMed Central

    Buttigieg, Pier Luigi; Hankeln, Wolfgang; Kostadinov, Ivaylo; Kottmann, Renzo; Yilmaz, Pelin; Duhaime, Melissa Beth; Glöckner, Frank Oliver

    2013-01-01

    Background The proportion of conserved DNA sequences with no clear function is steadily growing in bioinformatics databases. Studies of sequence and structural homology have indicated that many uncharacterized protein domain sequences are variants of functionally described domains. If these variants promote an organism's ecological fitness, they are likely to be conserved in the genome of its progeny and the population at large. The genetic composition of microbial communities in their native ecosystems is accessible through metagenomics. We hypothesize the co-variation of protein domain sequences across metagenomes from similar ecosystems will provide insights into their potential roles and aid further investigation. Methodology/Principal findings We calculated the correlation of Pfam protein domain sequences across the Global Ocean Sampling metagenome collection, employing conservative detection and correlation thresholds to limit results to well-supported hits and associations. We then examined intercorrelations between domains of unknown function (DUFs) and domains involved in known metabolic pathways using network visualization and cluster-detection tools. We used a cautious “guilty-by-association” approach, referencing knowledge-level resources to identify and discuss associations that offer insight into DUF function. We observed numerous DUFs associated to photobiologically active domains and prevalent in the Cyanobacteria. Other clusters included DUFs associated with DNA maintenance and repair, inorganic nutrient metabolism, and sodium-translocating transport domains. We also observed a number of clusters reflecting known metabolic associations and cases that predicted functional reclassification of DUFs. Conclusion/Significance Critically examining domain covariation across metagenomic datasets can grant new perspectives on the roles and associations of DUFs in an ecological setting. Targeted attempts at DUF characterization in the laboratory or in

  6. 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.

  7. Correlation of macro and micro cardiovascular function during weightlessness and simulated weightlessness

    NASA Technical Reports Server (NTRS)

    Hutchins, P. M.; Marshburn, T. H.; Smith, T. L.; Osborne, S. W.; Lynch, C. D.; Moultsby, S. J.

    1988-01-01

    The investigation of cardiovascular function necessarily involves a consideration of the exchange of substances at the capillary. If cardiovascular function is compromised or in any way altered during exposure to zero gravity in space, then it stands to reason that microvascular function is also modified. We have shown that an increase in cardiac output similar to that reported during simulated weightlessness is associated with a doubling of the number of post-capillary venules and a reduction in the number of arterioles by 35%. If the weightlessness of space travel produces similar changes in cardiopulmonary volume and cardiac output, a reasonable expectation is that astronauts will undergo venous neovascularization. We have developed an animal model in which to correlate microvascular and systemic cardiovascular function. The microcirculatory preparation consists of a lightweight, thermo-neutral chamber implanted around intact skeletal muscle on the back of a rat. Using this technique, the performed microvasculature of the cutaneous maximus muscle may be observed in the conscious, unanesthetized animal. Microcirculatory variables which may be obtained include venular and arteriolar numbers, lengths and diameters, single vessel flow velocities, vasomotion, capillary hematocrit anastomoses and orders of branching. Systemic hemodynamic monitoring of cardiac output by electromagnetic flowmetry, and arterial and venous pressures allows correlation of macro- and microcirculatory changes at the same time, in the same animal. Observed and calculated hemodynamic variables also include pulse pressure, heart rate, stroke volume, total peripheral resistance, aortic compliance, minute work, peak aortic flow velocity and systolic time interval. In this manner, an integrated assessment of total cardiovascular function may be obtained in the same animal without the complicating influence of anesthetics.

  8. Acetyl-L-Carnitine Treatment Following Spinal Cord Injury Improves Mitochondrial Function Correlated with Remarkable Tissue Sparing and Functional Recovery

    PubMed Central

    Patel, Samir P.; Sullivan, Patrick G.; Lyttle, Travis S.; Magnuson, David S. K.; Rabchevsky, Alexander G.

    2012-01-01

    We have recently documented that treatment with the alternative biofuel, acetyl-l-carnitine (ALC, 300 mg/kg), as late as 1 hr after T10 contusion spinal cord injury (SCI), significantly maintained mitochondrial function 24 hrs after injury. Here we report that following more severe contusion SCI centered on the L1/L2 segments that are postulated to contain lamina X neurons critical for locomotion (the “central pattern generator”), ALC treatment resulted in significant improvements in acute mitochondrial bioenergetics and long-term hindlimb function. While control-injured rats were only able to achieve slight movements of hindlimb joints, ALC-treated animals produced consistent weight-supported plantar steps one month after injury. Such landmark behavioral improvements were significantly correlated with increased tissue sparing of both gray and white matter proximal to the injury, as well as preservation of choline acetyltransferase (ChAT)-positive neurons in lamina X rostral to the injury site. These findings signify that functional improvements with ALC treatment are mediated, in part, by preserved locomotor circuitry rostral to upper lumbar contusion SCI. Based on beneficial effects of ALC on mitochondrial bioenergetics after injury, our collective evidence demonstrate that preventing mitochondrial dysfunction acutely “promotes” neuroprotection that may be associated with the milestone recovery of plantar, weight-supported stepping. PMID:22445934

  9. Study on an auto-correlation-function-based damage index: Sensitivity analysis and structural damage detection

    NASA Astrophysics Data System (ADS)

    Zhang, Muyu; Schmidt, Rüdiger

    2015-12-01

    The damage index based on the auto correlation function to detect the damage of the structure under white noise excitation is studied in detail in this paper. The maximum values of the auto correlation function of the vibration response signals (displacement, velocity and acceleration) from different measurement points of the structure are collected and formulated as a vector called Auto Correlation Function at Maximum Point Value Vector (AMV), which is expressed as a weighted combination of the Hadamard product of two mode shapes. AMV is normalized by its root mean square value so that the influence of the excitation can be eliminated. Sensitivity analysis for the different parts of the normalized AMV shows that the sensitivity of the normalized AMV to the local stiffness is dependent most on the sensitivity of the Hadamard product of the two lower order mode shapes to the local stiffness, which has a sudden change of the value around the local stiffness change position. The sensitivity of the normalized AMV has the similar shape and same trend that shows it is a very good damage indicator even for the very small damage. The relative change of the normalized AMV before and after damage occurs in the structure is adopted as the damage index to show the damage location. Several examples of the stiffness reduction detection of a 12-story shear frame structure are utilized to validate the results in sensitivity analysis, illustrate the effectiveness and anti-noise ability of the AMV-based damage detection method and compare the effect of the response type on the detectability of the normalized AMV.

  10. 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

  11. 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

  12. Tight correlation-function Bell inequality for multipartite d -dimensional systems

    NASA Astrophysics Data System (ADS)

    Chen, Jing-Ling; Deng, Dong-Ling

    2009-01-01

    We generalize the correlation functions of the Clauser-Horne-Shimony-Holt (CHSH) inequality to multipartite d -dimensional systems. All the Bell inequalities based on this generalization take the same simple form as the CHSH inequality. For small systems, numerical results show that the new inequalities are tight and we believe this is also valid for higher-dimensional systems. Moreover, the new inequalities are relevant to the previous ones and, for bipartite systems, our inequality is equivalent to the Collins-Gisin-Linden-Masser-Popescu inequality.

  13. Equilibrium time-correlation functions for one-dimensional hard-point systems

    NASA Astrophysics Data System (ADS)

    Mendl, Christian B.; Spohn, Herbert

    2014-07-01

    As recently proposed, the long-time behavior of equilibrium time-correlation functions for one-dimensional systems are expected to be captured by a nonlinear extension of fluctuating hydrodynamics. We outline the predictions from the theory aimed at the comparison with molecular dynamics. We report on numerical simulations of a fluid with a hard-shoulder potential and of a hard-point gas with alternating masses. These models have in common that the collision time is zero and their dynamics amounts to iterating collision by collision. The theory is well confirmed, with the twist that the nonuniversal coefficients are still changing at longest accessible times.

  14. Low Temperature Properties for Correlation Functions in Classical N-Vector Spin Models

    NASA Astrophysics Data System (ADS)

    Balaban, Tadeusz; O'Carroll, Michael

    We obtain convergent multi-scale expansions for the one-and two-point correlation functions of the low temperature lattice classical N- vector spin model in d>= 3 dimensions, N>= 2. The Gibbs factor is taken as where , , , are large and 0 < v<= 1. In the thermodynamic and limits, with h=e1, and Δ≡∂*∂, the expansion gives (spontaneous magnetization), , (Goldstone Bosons), , and , where , for some ρ > 0, and c0 is aprecisely determined constant.

  15. Data for default network reduced functional connectivity in meditators, negatively correlated with meditation expertise.

    PubMed

    Berkovich-Ohana, Aviva; Harel, Michal; Hahamy, Avital; Arieli, Amos; Malach, Rafael

    2016-09-01

    FMRI data described here was recorded during resting-state in Mindfulness Meditators (MM) and control participants (see "Task-induced activity and resting-state fluctuations undergo similar alterations in visual and DMN areas of long-term meditators" Berkovich-Ohana et al. (2016) [1] for details). MM participants were also scanned during meditation. Analyses focused on functional connectivity within and between the default mode network (DMN) and visual network (Vis). Here we show data demonstrating that: 1) Functional connectivity within the DMN and the Visual networks were higher in the control group than in the meditators; 2) Data show an increase for the functional connectivity between the DMN and the Visual networks in the meditators compared to controls; 3) Data demonstrate that functional connectivity both within and between networks reduces during meditation, compared to the resting-state; and 4) A significant negative correlation was found between DMN functional connectivity and meditation expertise. The reader is referred to Berkovich-Ohana et al. (2016) [1] for further interpretation and discussion. PMID:27508242

  16. In-vivo imaging of the photoreceptor mosaic in retinal dystrophies and correlations with visual function

    SciTech Connect

    Choi, S; Doble, N; Hardy, J; Jones, S; Keltner, J; Olivier, S; Werner, J S

    2005-10-26

    To relate in-vivo microscopic retinal changes to visual function assessed with clinical tests in patients with various forms of retinal dystrophies. The UC Davis Adaptive Optics (AO) Fundus Camera was used to acquire in-vivo retinal images at the cellular level. Visual function tests, consisting of visual field analysis, multifocal electroretinography (mfERG), contrast sensitivity and color vision measures, were performed on all subjects. Five patients with different forms of retinal dystrophies and three control subjects were recruited. Cone densities were quantified for all retinal images. In all images of diseased retinas, there were extensive areas of dark space between groups of photoreceptors, where no cone photoreceptors were evident. These irregular features were not seen in healthy retinas, but were characteristic features in fundi with retinal dystrophies. There was a correlation between functional vision loss and the extent to which the irregularities occurred in retinal images. Cone densities were found to decrease with an associated decrease in retinal function. AO fundus photography is a reliable technique for assessing and quantifying the changes in the photoreceptor layer as disease progresses. Furthermore, this technique can be useful in cases where visual function tests give borderline or ambiguous results, as it allows visualization of individual photoreceptors.

  17. Neural correlates of substance abuse: Reduced functional connectivity between areas underlying reward and cognitive control

    PubMed Central

    Motzkin, Julian C.; Baskin-Sommers, Arielle; Newman, Joseph P.; Kiehl, Kent A.; Koenigs, Michael

    2014-01-01

    Substance use disorders (SUD) have been associated with dysfunction in reward processing, habit formation, and cognitive-behavioral control. Accordingly, neurocircuitry models of addiction highlight roles for nucleus accumbens, dorsal striatum, and prefrontal/anterior cingulate cortex. However, the precise nature of the disrupted interactions between these brain regions in SUD, and the psychological correlates thereof, remain unclear. Here we used magnetic resonance imaging to measure rest-state functional connectivity of three key striatal nuclei (nucleus accumbens, dorsal caudate, dorsal putamen) in a sample of 40 adult male prison inmates (n=22 diagnosed with SUD; n=18 without SUD). Relative to the non-SUD group, the SUD group exhibited significantly lower functional connectivity between the nucleus accumbens and a network of frontal cortical regions involved in cognitive control (dorsal anterior cingulate cortex, dorsolateral prefrontal cortex, and frontal operculum). There were no group differences in functional connectivity for the dorsal caudate or dorsal putamen. Moreover, the SUD group exhibited impairments in laboratory measures of cognitive-behavioral control, and individual differences in functional connectivity between nucleus accumbens and the frontal cortical regions were related to individual differences in measures of cognitive-behavioral control across groups. The strength of the relationship between functional connectivity and cognitive control did not differ between groups. These results indicate that SUD is associated with abnormal interactions between subcortical areas that process reward (nucleus accumbens) and cortical areas that govern cognitive-behavioral control. PMID:24510765

  18. Determination of simple correlated wave functions for few-electron systems using a Jastrow factor

    SciTech Connect

    Umezawa, N.; Sarsa, A.; Le Sech, C.; Chikyow, T.

    2006-01-15

    Compact Jastrow-Slater-type correlated wave functions for three- and four-electron atoms and ions (Li, Be{sup +}, B{sup 2+}, C{sup 3+}, Be, B{sup +}, and C{sup 2+}) are proposed. The Jastrow factor we employed consists of one-body and two-body functions including only two variational parameters in total. We found that a one-body Jastrow function with one variational parameter, which is responsible for the screening effect around the nucleus, is effective for reproducing good total energies of the three- and four-electron atomic systems if hydrogenoid orbitals are adopted in the Slater determinant. On the other hand, a determinant composed of Hartree-Fock orbitals multiplied by the same Jastrow factor was found to give rather worse results than that composed of hydrogenoid orbitals. This result clearly indicates that analytic hydrogenoid orbitals coupled with the one-body Jastrow function are useful for describing simple wave functions and understanding the physical properties of these systems.

  19. Statistics of time delay and scattering correlation functions in chaotic systems. II. Semiclassical approximation

    NASA Astrophysics Data System (ADS)

    Novaes, Marcel

    2015-06-01

    We consider S-matrix correlation functions for a chaotic cavity having M open channels, in the absence of time-reversal invariance. Relying on a semiclassical approximation, we compute the average over E of the quantities Tr[S†(E - ɛ) S(E + ɛ)]n, for general positive integer n. Our result is an infinite series in ɛ, whose coefficients are rational functions of M. From this, we extract moments of the time delay matrix Q = - iħS†dS/dE and check that the first 8 of them agree with the random matrix theory prediction from our previous paper [M. Novaes, J. Math. Phys. 56, 062110 (2015)].

  20. Statistics of time delay and scattering correlation functions in chaotic systems. II. Semiclassical approximation

    SciTech Connect

    Novaes, Marcel

    2015-06-15

    We consider S-matrix correlation functions for a chaotic cavity having M open channels, in the absence of time-reversal invariance. Relying on a semiclassical approximation, we compute the average over E of the quantities Tr[S{sup †}(E − ϵ) S(E + ϵ)]{sup n}, for general positive integer n. Our result is an infinite series in ϵ, whose coefficients are rational functions of M. From this, we extract moments of the time delay matrix Q = − iħS{sup †}dS/dE and check that the first 8 of them agree with the random matrix theory prediction from our previous paper [M. Novaes, J. Math. Phys. 56, 062110 (2015)].

  1. Correlation Functions of Winding Strings in AdS{sub 3}

    SciTech Connect

    Minces, Pablo

    2008-07-28

    We review certain results for amplitudes of spectral flowed operators in string theory on AdS{sub 3}. We present the modified Knizhnik-Zamolodchikov and null vector equations to be satisfied by correlators including w = 1 operators. We then discuss the three point function of two w = 1 and one w 0 operators in the x-basis, and perform a consistency check on the definition of the w = 1 operator. We finally exhibit the steps in the calculation of the winding conserving four point functions for operators in arbitrary spectral flowed sectors, both in the m- and x-basis, under the only assumption that at least one of the operators is in the spectral flowed image of the highest weight discrete representation.

  2. 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

  3. Correlation of Chemical Bond Directions and Functional Group Orientations in Solids by Two-Dimensional NMR

    NASA Astrophysics Data System (ADS)

    Weliky, D. P.; Dabbagh, G.; Tycko, R.

    We describe a new two-dimensional NMR technique for structural studies of polycrystalline and noncrystalline solids. The technique is a variant of 2D exchange spectroscopy applicable to organic molecules, macromolecules, or molecular complexes that are doubly 13C-labeled at a specific carboncarbon bond and singly 13C labeled at a specific functional group. A Carr-Purcell sequence is used to obtain dipolar spectra in the t1 dimension. Spectra in the t2 dimension are determined primarily by the chemical-shift anisotropy. With spin diffusion among the labeled sites between the t1 and t2 periods, the resulting 2D spectra reveal correlations between the direction of the labeled bond and the orientation of the labeled functional group. Experimental spectra of two polycrystalline model compounds, dimethyl succinate and diammonium succinate, are presented and compared with simulations to illustrate the structural information contained in the 2D spectra.

  4. The correlation between the percent of CD3- CD56+ cells and NK precursor function.

    PubMed

    Gharehbaghian, Ahmad; Donaldson, Craig; Newman, John; Bannister, Gordon; Bradley, Benjamin A

    2006-12-01

    The number and function of human natural killer (NK) cells are generally assessed to monitor the baseline of immune function, the effect of treatment, the progress of malignancy or metastases and diseases. NK cells recognise and kill target cells in the absence of prior sensitisation and are able to defend the host from infection or prevent the progression of a disease. Human NK cells express CD16 and CD56 which are (massively) being used as a major hallmark for the NK cell. The purpose of this study was to identify the unique subsets of peripheral blood mononuclear cells (PBMC) (%CD3-CD56+ cells) by flow cytometry and to determine whether there is any correlation with functionally mature progeny of (NKp) precursor after five days of culture. The correlation was analysed using samples obtained from 120 Caucasian patients. 20-30ml of whole blood was collected in sterile tube containing preservative free sodium heparin and a similar sample was obtained after five days. Maturation of NKp required the continuous presence of recombinant interleukin 2 (rIL-2), or interleukin 15 (rIL-15) and functional maturity of NK cells was determined by their ability to lyse target cells from the K562 cell line. The NK precursor frequency was measured by limiting dilution analysis (LDA), which The NKpf assay was set up with a range of cell dilutions from 40,000 to 625 per 100ml/well in 96 well culture plates. At the end of the culture period the K562 cell line labelled with Europium (Eu-K562) was added and Eu release measured in culture supernatants using time-resolved fluorometry. The PBMC were set up in parallel cultures under various conditions . On day five cells were collected from culture plates and adjusted to 1x10 cells/ml and then mixed. The mixture was incubated and anti CD3 and anti CD56 were added. NK cells were enumerated in 120 patients by double staining with a combination of anti-CD3- and anti-CD56+. The results of these Immunophenotyping studies by flow cytometry

  5. N(th)-order correlation functions of galaxies from the Sloan Digital Sky Survey

    NASA Astrophysics Data System (ADS)

    Ross, Ashley Jacob

    I present the correlation function measurements and analysis I have conducted with SDSS data. I have focused my measurements on angular N -point area- averaged correlation functions ( o N ([straight theta]) ) and auto-correlation functions (o 2 ([straight theta])) of galaxies. The measured o N ([straight theta]) are used to calculate the projected, s N , and real space, S N , hierarchical amplitudes. I have used SDSS DR3 data to show that the measurements are robust against the systematic effects of reddening and seeing, and to determine that large differences exist in the higher-order clustering of early- and late-type galaxies--quantified in terms of bias parameters. Using photometric redshift catalogs from SDSS DR5 data, I have created two volume limited samples of galaxies, allowing me to measure o N ([straight theta]) as a function of type, redshift, and luminosity. I have found that the higher-order bias of early-type galaxies does not vary significantly with changes in either redshift or luminosity, as c 2, early is consistent with 0.09 for all measurements. I have shown that the higher-order clustering of late-type galaxies shows dramatic differences for galaxies selected with redshifts above and below z = 0.3. Using LRGs photometrically selected from SDSS DR5, I have measured the 2nd-order bias tern, c 2 , using both o 2 ([straight theta]) and s 3 , and I have combined these measurements to determine that the normalization of the matter power spectrum at 8 h -1 Mpc, s 8 , is 0.79 ± 0.05 and c 2, LRG = 0.09 ± 0.04--consistent with the DR5 early-type results. I have calculated o 2 ([straight theta]) of galaxies from SDSS DR5 to constrain the HOD of galaxies as a function of type. I found that a new model that separated early- and late- type galaxies into different dark matter halos as much as possible was required to allow good fits to the measurements. Throughout, my findings are interpreted with respect to both the evolution of structure formation and

  6. Correlation of neurocognitive function and brain parenchyma volumes in children surviving cancer

    NASA Astrophysics Data System (ADS)

    Reddick, Wilburn E.; White, Holly A.; Glass, John O.; Mulhern, Raymond K.

    2002-04-01

    This research builds on our hypothesis that white matter damage and associated neurocognitive symptoms, in children treated for cancer with cranial spinal irradiation, spans a continuum of severity that can be reliably probed using non-invasive MR technology. Quantitative volumetric assessments of MR imaging and psychological assessments were obtained in 40 long-term survivors of malignant brain tumors treated with cranial irradiation. Neurocognitive assessments included a test of intellect (Wechsler Intelligence Test for Children, Wechsler Adult Intelligence Scale), attention (Conner's Continuous Performance Test), and memory (California Verbal Learning Test). One-sample t-tests were conducted to evaluate test performance of survivors against age-adjusted scores from the test norms; these analyses revealed significant impairments in all apriori selected measures of intelligence, attention, and memory. Partial correlation analyses were performed to assess the relationships between brain tissues volumes (normal appearing white matter (NAWM), gray matter, and CSF) and neurocognitive function. Global intelligence (r = 0.32, p = 0.05) and global attentional (r = 0.49, p < 0.01) were significantly positively correlated with NAWM volumes, whereas global memory was significantly positively correlated with overall brain parenchyma (r = 0.38, p = 0.04). We conclude that quantitative assessment of MR examinations in survivors of childhood cancer treated with cranial irradiation reveal that loss of NAWM is associated with decreased intellectual and attentional deficits, whereas overall parenchyma loss, as reflected by increased CSF and decreased white matter, is associated with memory-related deficits.

  7. Properties of functional brain networks correlate with frequency of psychogenic non-epileptic seizures.

    PubMed

    Barzegaran, Elham; Joudaki, Amir; Jalili, Mahdi; Rossetti, Andrea O; Frackowiak, Richard S; Knyazeva, Maria G

    2012-01-01

    Abnormalities in the topology of brain networks may be an important feature and etiological factor for psychogenic non-epileptic seizures (PNES). To explore this possibility, we applied a graph theoretical approach to functional networks based on resting state EEGs from 13 PNES patients and 13 age- and gender-matched controls. The networks were extracted from Laplacian-transformed time-series by a cross-correlation method. PNES patients showed close to normal local and global connectivity and small-world structure, estimated with clustering coefficient, modularity, global efficiency, and small-worldness (SW) metrics, respectively. Yet the number of PNES attacks per month correlated with a weakness of local connectedness and a skewed balance between local and global connectedness quantified with SW, all in EEG alpha band. In beta band, patients demonstrated above-normal resiliency, measured with assortativity coefficient, which also correlated with the frequency of PNES attacks. This interictal EEG phenotype may help improve differentiation between PNES and epilepsy. The results also suggest that local connectivity could be a target for therapeutic interventions in PNES. Selective modulation (strengthening) of local connectivity might improve the skewed balance between local and global connectivity and so prevent PNES events. PMID:23267325

  8. 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.

  9. Predicting enzyme behavior in nonconventional media: correlating nitrilase function with solvent properties.

    PubMed

    Kaul, Praveen; Banerjee, U C

    2008-07-01

    The insolubility of nitrile substrates in aqueous reaction mixture decreases the enzymatic reaction rate. We studied the interaction of fourteen water miscible organic solvents with immobilized nitrile hydrolyzing biocatalyst. Correlation of nitrilase function with physico-chemical properties of the solvents has allowed us to predict the enzyme behavior in such non-conventional media. Addition of organic solvent up to a critical concentration leads to an enhancement in reaction rate, however, any further increase beyond the critical concentration in the latter leads to the decrease in catalytic efficiency of the enzyme, probably due to protein denaturation. The solvent dielectric constant (epsilon) showed a linear correlation with the critical concentration of the solvent used and the extent of nitrile hydrolysis. Unlike alcohols, the reaction rate in case of aprotic solvents could be linearly correlated to solvent log P. Further, kinetic analysis confirmed that the affinity of the enzyme for its substrate (K (m)) was highly dependent upon the aprotic solvent used. Finally, the prospect of solvent engineering also permitted the control of enzyme enantioselectivity by regulating enantiomer traffic at the active site. PMID:18317826

  10. Dissociating animacy processing in high-functioning autism: neural correlates of stimulus properties and subjective ratings.

    PubMed

    Kuzmanovic, Bojana; Schilbach, Leonhard; Georgescu, Alexandra L; Kockler, Hanna; Santos, Natacha S; Shah, N Jon; Bente, Gary; Fink, Gereon R; Vogeley, Kai

    2014-01-01

    When movements indicate meaningful actions, even nonbiological objects induce the impression of "having a mind" or animacy. This basic social ability was investigated in adults with high-functioning autism (HFA, n = 13, and matched controls, n = 13) by systematically varying motion properties of simple geometric shapes. Critically, trial-by-trial variations of (1) motion complexity of stimuli, and of (2) participants' individual animacy ratings were separately correlated with neural activity to dissociate cognitive strategies relying more closely on stimulus analysis vs. subjective experience. Increasing motion complexity did not yield any significant group differences, and in both groups, it correlated with neural activity in regions involved in perceptual and evaluative processing, including the ventral medial prefrontal cortex (mPFC), superior temporal gyrus (STG) and posterior cingulate cortex (PCC). In contrast, although there were no significant behavioral differences between the groups, increasing animacy ratings correlated with neural activity in the insula, STG, amygdala, dorsal mPFC and PCC more strongly in controls than in HFA. These results indicate that in HFA the evaluation of stimulus properties cuing for animacy is intact, while increasing subjective ratings do not seem to be robustly related to social processing, including spontaneous mental state inferences and experience of salience. PMID:24512520

  11. Techniques for estimating the unknown functions of incomplete experimental spectral and correlation response matrices

    NASA Astrophysics Data System (ADS)

    Antunes, Jose; Borsoi, Laurent; Delaune, Xavier; Piteau, Philippe

    2016-02-01

    In this paper, we propose analytical and numerical straightforward approximate methods to estimate the unknown terms of incomplete spectral or correlation matrices, when the cross-spectra or cross-correlations available from multiple measurements do not cover all pairs of transducer locations. The proposed techniques may be applied whenever the available data includes the auto-spectra at all measurement locations, as well as selected cross-spectra which implicates all measurement locations. The suggested methods can also be used for checking the consistency between the spectral or correlation functions pertaining to measurement matrices, in cases of suspicious data. After presenting the proposed spectral estimation formulations, we discuss their merits and limitations. Then we illustrate their use on a realistic simulation of a multi-supported tube subjected to turbulence excitation from cross-flow. Finally, we show the effectiveness of the proposed techniques by extracting the modal responses of the simulated flow-excited tube, using the SOBI (Second Order Blind Identification) method, from an incomplete response matrix 1

  12. Correlations between color perception and motor function impairment in children with spastic cerebral palsy

    PubMed Central

    2014-01-01

    Introduction The aim of the present study was to evaluate color perception thresholds and relate them to the degree of motor impairment in children with spastic cerebral palsy (SCP). Methods Binocular and monocular chromaticity discrimination thresholds were estimated for the protan, deutan, and tritan color confusion axes in 43 SCP children aged 6–15 years who were classified as tetraplegic (n = 12), diplegic (n = 16), and hemiplegic (n = 15) without ophthalmological complaints. Motor impairment was rated according to the Gross Motor Function Classification System (GMFCS) in five levels of severity. Results Analysis of variance showed significantly reduced discrimination in tetraplegic children (p < 0.001) compared with the diplegic, hemiplegic, and control groups. We also found a positive correlation between chromaticity discrimination thresholds and GMFCS ratings in all of the groups. Discussion Chromaticity discrimination thresholds measured psychophysically were reduced for all three color confusion axis in tetraplegic children compared with normal children. Diplegic and hemiplegic children had similar results as normal children. The finding of a correlation between quantified motor impairment and color discrimination losses in SCP patients is a new observation that might help elucidate the causes of color perception loss in these patients. Visual information is essential for the rehabilitation of CP children. Knowledge of the degree of correlation between vision and motor impairment is valuable when planning a rehabilitation program. PMID:24961924

  13. Cortical substrates and functional correlates of auditory deviance processing deficits in schizophrenia

    PubMed Central

    Rissling, Anthony J.; Miyakoshi, Makoto; Sugar, Catherine A.; Braff, David L.; Makeig, Scott; Light, Gregory A.

    2014-01-01

    Although sensory processing abnormalities contribute to widespread cognitive and psychosocial impairments in schizophrenia (SZ) patients, scalp-channel measures of averaged event-related potentials (ERPs) mix contributions from distinct cortical source-area generators, diluting the functional relevance of channel-based ERP measures. SZ patients (n = 42) and non-psychiatric comparison subjects (n = 47) participated in a passive auditory duration oddball paradigm, eliciting a triphasic (Deviant−Standard) tone ERP difference complex, here termed the auditory deviance response (ADR), comprised of a mid-frontal mismatch negativity (MMN), P3a positivity, and re-orienting negativity (RON) peak sequence. To identify its cortical sources and to assess possible relationships between their response contributions and clinical SZ measures, we applied independent component analysis to the continuous 68-channel EEG data and clustered the resulting independent components (ICs) across subjects on spectral, ERP, and topographic similarities. Six IC clusters centered in right superior temporal, right inferior frontal, ventral mid-cingulate, anterior cingulate, medial orbitofrontal, and dorsal mid-cingulate cortex each made triphasic response contributions. Although correlations between measures of SZ clinical, cognitive, and psychosocial functioning and standard (Fz) scalp-channel ADR peak measures were weak or absent, for at least four IC clusters one or more significant correlations emerged. In particular, differences in MMN peak amplitude in the right superior temporal IC cluster accounted for 48% of the variance in SZ-subject performance on tasks necessary for real-world functioning and medial orbitofrontal cluster P3a amplitude accounted for 40%/54% of SZ-subject variance in positive/negative symptoms. Thus, source-resolved auditory deviance response measures including MMN may be highly sensitive to SZ clinical, cognitive, and functional characteristics. PMID:25379456

  14. Contribution of twist-3 multigluon correlation functions to single spin asymmetry in semi-inclusive deep inelastic scattering

    SciTech Connect

    Beppu, Hiroo; Yoshida, Shinsuke; Koike, Yuji; Tanaka, Kazuhiro

    2010-09-01

    As a possible source of the single transverse-spin asymmetry, we study the contribution from purely gluonic correlation represented by the twist-3 ''three-gluon correlation'' functions in the transversely polarized nucleon. We first define a complete set of the relevant three-gluon correlation functions, and then derive its contribution to the twist-3 single-spin-dependent cross section for the D-meson production in semi-inclusive deep inelastic scattering, which is relevant to determine the three-gluon correlations. Our cross-section formula differs from the corresponding result in the literature, and the origin of the discrepancy is clarified.

  15. An engineered glove for investigating the neural correlates of finger movements using functional magnetic resonance imaging

    PubMed Central

    Bonzano, Laura; Tacchino, Andrea; Roccatagliata, Luca; Inglese, Matilde; Mancardi, Giovanni Luigi; Novellino, Antonio; Bove, Marco

    2015-01-01

    Objective measurement of concomitant finger motor performance is recommended for functional magnetic resonance imaging (fMRI) studies investigating brain activity during finger tapping tasks, because performance modality and ability can influence the selection of different neural networks. In this study, we present a novel glove system for quantitative evaluation of finger opposition movements during fMRI (called Glove Analyzer for fMRI, GAF). Several tests for magnetic resonance (MR) compatibility were performed concerning magnet forces, image artifacts and right functioning of the system. Then, pilot fMRI of finger opposition tasks were conducted at 1.5T and 3T to investigate the neural correlates of sequences of finger opposition movements with the right hand, with simultaneous behavioral recording by means of GAF. All the MR compatibility tests succeeded, and the fMRI analysis revealed mainly the activation of the left sensorimotor areas and right cerebellum, regions that are known to be involved in finger movements. No artifactual clusters were detected in the activation maps. At the same time, through the parameters calculated by GAF it was possible to describe the sensorimotor strategy adopted by the subjects during the required task. Thus, the proposed device resulted to be MR compatible and can be useful for future fMRI studies investigating the neural correlates of finger opposition movements, allowing follow-up studies and comparisons among different groups of patients. PMID:26441600

  16. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems.

    PubMed

    Sun, Jianwei; Perdew, John P; Yang, Zenghui; Peng, Haowei

    2016-05-21

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound. PMID:27208927

  17. Estimation and optimization of loss-of-pair uncertainties based on PIV correlation functions

    NASA Astrophysics Data System (ADS)

    Scharnowski, Sven; Kähler, Christian J.

    2016-02-01

    The uncertainty quantification of particle image velocimetry (PIV) measurements is still an open problem, and to date, no consensus exists about the best suited approach. When the spatial resolution is not appropriate, the largest uncertainties are usually caused by flow gradients. But also the amount of loss-of-pairs due to out-of-plane flow motion and insufficient light-sheet overlap causes strong uncertainties in real experiments. In this paper, we show how the amount of loss-of-pairs can be quantified using the volume of the correlation function normalized by the volume of the autocorrelation function. The findings are an important step toward a reliable uncertainty estimation of instantaneous planar velocity fields computed from PIV and stereo-PIV data. Another important consequence of the analysis is that the results allow for the optimization of PIV and stereo-PIV setups in view of minimizing the total error. In particular, it is shown that the best results (concerning the relative uncertainty) can be achieved if the out-of-plane loss-of-correlation is smaller than one ( F o ). The only exception is the case where the out-of-plane motion is exactly zero. The predictions are confirmed experimentally in the last part of the paper.

  18. Nicotinic acetylcholine receptor expression in human airway correlates with lung function.

    PubMed

    Lam, David Chi-Leung; Luo, Susan Yang; Fu, Kin-Hang; Lui, Macy Mei-Sze; Chan, Koon-Ho; Wistuba, Ignacio Ivans; Gao, Boning; Tsao, Sai-Wah; Ip, Mary Sau-Man; Minna, John Dorrance

    2016-02-01

    Nicotine and its derivatives, by binding to nicotinic acetylcholine receptors (nAChRs) on bronchial epithelial cells, can regulate cellular signaling and inflammatory processes. Delineation of nAChR subtypes and their responses to nicotine stimulation in bronchial epithelium may provide information for therapeutic targeting in smoking-related inflammation in the airway. Expression of nAChR subunit genes in 60 bronchial epithelial biopsies and immunohistochemical staining for the subcellular locations of nAChR subunit expression were evaluated. Seven human bronchial epithelial cell lines (HBECs) were exposed to nicotine in vitro for their response in nAChR subunit gene expression to nicotine exposure and removal. The relative normalized amount of expression of nAChR α4, α5, and α7 and immunohistochemical staining intensity of nAChR α4, α5, and β3 expression showed significant correlation with lung function parameters. Nicotine stimulation in HBECs resulted in transient increase in the levels of nAChR α5 and α6 but more sustained increase in nAChR α7 expression. nAChR expression in bronchial epithelium was found to correlate with lung function. Nicotine exposure in HBECs resulted in both short and longer term responses in nAChR subunit gene expression. These results gave insight into the potential of targeting nAChRs for therapy in smoking-related inflammation in the airway. PMID:26608528

  19. Computing the three-point correlation function of galaxies in O(N^2) time

    NASA Astrophysics Data System (ADS)

    Slepian, Zachary; Eisenstein, Daniel J.

    2015-12-01

    We present an algorithm that computes the multipole coefficients of the galaxy three-point correlation function (3PCF) without explicitly considering triplets of galaxies. Rather, centring on each galaxy in the survey, it expands the radially binned density field in spherical harmonics and combines these to form the multipoles without ever requiring the relative angle between a pair about the central. This approach scales with number and number density in the same way as the two-point correlation function, allowing run-times that are comparable, and 500 times faster than a naive triplet count. It is exact in angle and easily handles edge correction. We demonstrate the algorithm on the LasDamas SDSS-DR7 mock catalogues, computing an edge corrected 3PCF out to 90 Mpc h-1 in under an hour on modest computing resources. We expect this algorithm will render it possible to obtain the large-scale 3PCF for upcoming surveys such as Euclid, Large Synoptic Survey Telescope (LSST), and Dark Energy Spectroscopic Instrument.

  20. 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.

  1. The correlation function for density perturbations in an expanding universe. I - Linear theory

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1977-01-01

    The evolution of the two-point correlation function for adiabatic density perturbations in the early universe is studied. Analytical solutions are obtained for the evolution of linearized spherically symmetric adiabatic density perturbations and the two-point correlation function for these perturbations in the radiation-dominated portion of the early universe. The results are then extended to the regime after decoupling. It is found that: (1) adiabatic spherically symmetric perturbations comparable in scale with the maximum Jeans length would survive the radiation-dominated regime; (2) irregular fluctuations are smoothed out up to the scale of the maximum Jeans length in the radiation era, but regular fluctuations might survive on smaller scales; (3) in general, the only surviving structures for irregularly shaped adiabatic density perturbations of arbitrary but finite scale in the radiation regime are the size of or larger than the maximum Jeans length in that regime; (4) infinite plane waves with a wavelength smaller than the maximum Jeans length but larger than the critical dissipative damping scale could survive the radiation regime; and (5) black holes would also survive the radiation regime and might accrete sufficient mass after decoupling to nucleate the formation of galaxies.

  2. N-point correlation functions in the CfA and SSRS redshift distribution of galaxies

    NASA Technical Reports Server (NTRS)

    Gaztanaga, Enrique

    1992-01-01

    Using counts in cells, we estimate the volume-average N-point galaxy correlation functions for N = 2, 3, and 4, in redshift samples of the CfA and SSRS catalogs. Volume-limited samples of different sizes are used to study the uncertainties at different scales, the shot noise, and the problem with the boundaries. The hierarchical constants S3 and S4 agree well in all samples in CfA and SSRS, with average S3 = 194 +/- 0.07 and S4 = 4.56 +/- 0.53. We compare these results with estimates obtained from angular catalogs and recent analysis over IRAS samples. The amplitudes SJ seem larger in real space than in redshift space, although the values from the angular analysis correspond to smaller scales, where we might expect larger nonperturbative effects. It is also found that S3 and S4 are smaller for IRAS than for optical galaxies. This, together with the fact that IRAS galaxies have smaller amplitude for the above correlation functions, indicates that the density fluctuations of IRAS galaxies cannot be simply proportional to the density fluctuations of optical galaxies, i.e., biasing has to be nonlinear between them.

  3. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    NASA Astrophysics Data System (ADS)

    Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

    2016-05-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  4. Optimization of correlated multi-response quality engineering by the upside-down normal loss function

    NASA Astrophysics Data System (ADS)

    Zeybek, Melis; Köksoy, Onur

    2016-08-01

    Most of the published literature on robust design is basically concerned with a single response. However, the reality is that common industrial problems usually involve several quality characteristics, which are often correlated. Traditional approaches to multidimensional quality do not offer much information on how much better or worse a process is when finding optimal settings. Köksoy and Fan [Engineering Optimization 44 (8): 935-945] pointed out that the upside-down normal loss function provides a more reasonable risk assessment to the losses of being off-target in product engineering research. However, they only consider the single-response case. This article generalizes their idea to more than one response under possible correlations and co-movement effects of responses on the process loss. The response surface methodology has been adapted, estimating the expected multivariate upside-down normal loss function of a multidimensional system to find the optimal control factor settings of a given problem. The procedure and its merits are illustrated through an example.

  5. 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

  6. Functional and evolutionary correlations of steep leaf angles in the mexical shrubland.

    PubMed

    Valiente-Banuet, Alfonso; Verdú, Miguel; Valladares, Fernando; García-Fayos, Patricio

    2010-05-01

    In the evergreen shrubland vegetation of Mexico (mexical), most of the species are sclerophyllous woody plants with steep leaf angles. This architectural pattern has been interpreted as a strategy to cope with water shortages and high radiation. However, the current association between evergreenness and steep leaf angles across mexical plant species could be the result of an adaptive association achieved through correlated evolutionary change between both traits or, alternatively, may be the result of common evolutionary ancestry. In this study, we quantified leaf angle in 28 dominant species under a phylogenetic framework and evaluated the functional implications of the observed range of leaf angles in terms of leaf temperature, water potentials and transpiration by combining manipulative experiments restraining leaves horizontally with microclimatic and stomatal conductance measurements in selected species and energy balance calculations. Horizontally restrained leaves exhibited reduced water potentials and stomatal conductances, and significantly increased temperatures and transpiration rates. Steeply inclined leaves operated near air temperatures and could sustain relatively high stomatal conductances during the dry season since they were associated with low transpiration rates. Phylogenetic analyses showed that steep leaf angles evolved in a correlated fashion in evergreen species. The functional consequences of leaf angle together with the phylogenetic analysis indicate the adaptive nature of this trait which allows the evergreen species to cope with arid conditions and therefore to persist within the mexical community. PMID:19956973

  7. An engineered glove for investigating the neural correlates of finger movements using functional magnetic resonance imaging.

    PubMed

    Bonzano, Laura; Tacchino, Andrea; Roccatagliata, Luca; Inglese, Matilde; Mancardi, Giovanni Luigi; Novellino, Antonio; Bove, Marco

    2015-01-01

    Objective measurement of concomitant finger motor performance is recommended for functional magnetic resonance imaging (fMRI) studies investigating brain activity during finger tapping tasks, because performance modality and ability can influence the selection of different neural networks. In this study, we present a novel glove system for quantitative evaluation of finger opposition movements during fMRI (called Glove Analyzer for fMRI, GAF). Several tests for magnetic resonance (MR) compatibility were performed concerning magnet forces, image artifacts and right functioning of the system. Then, pilot fMRI of finger opposition tasks were conducted at 1.5T and 3T to investigate the neural correlates of sequences of finger opposition movements with the right hand, with simultaneous behavioral recording by means of GAF. All the MR compatibility tests succeeded, and the fMRI analysis revealed mainly the activation of the left sensorimotor areas and right cerebellum, regions that are known to be involved in finger movements. No artifactual clusters were detected in the activation maps. At the same time, through the parameters calculated by GAF it was possible to describe the sensorimotor strategy adopted by the subjects during the required task. Thus, the proposed device resulted to be MR compatible and can be useful for future fMRI studies investigating the neural correlates of finger opposition movements, allowing follow-up studies and comparisons among different groups of patients. PMID:26441600

  8. On the Noise Level of the Ambient Noise Cross-Correlation Function and Its Application

    NASA Astrophysics Data System (ADS)

    Chen, Y. N.; Gung, Y.; Chiao, L. Y.

    2014-12-01

    Retrieving the Empirical Green's function (EGF) between two receivers by cross-correlating continuous records is now a well-recognized technique and the derived EGFs have been applied to various fields in seismology. However, little attention has been given to a more quantitative description on the noise behavior of the noise-derived cross-correlation functions (CCF), for its signal-to-noise ratio (SNR) can be improved easily by increasing the total correlation time. In our early work, using data recorded from Taiwan and Korea, we have designed a procedure to quantify the noises within the noise-derived CCFs and their spatial/directional properties. Because the effective amplitudes and the noise levels of CCFs are closely related to the distribution of the ambient sources and the population of the uncorrelated noises, respectively, here we move forward to further investigate the source mechanisms of the ambient noises by using their distinctive sensitivities to the surrounding sources. It is known that the short period (3~5 seconds) secondary microseisms (SPSM) are much more active in Taiwan Straight and such asymmetric energy excitations are well demonstrated in the amplitude asymmetry of CCFs. Interestingly, we find that, there is nearly no directional dependence of the noise levels of CCFs, namely, the effects of uncorrelated sources in the CCFs are essentially isotropic. With the same data set, we also investigate the excitation mechanisms of (1) the intermediate period (7-9 seconds) microseisms, which are one of the spectral peaks in the ambient noises, and (2) the coda train in the noise-derived CCFs. Based upon our analysis, we argue that (1) the 7~9 period ambient noises are contributed mainly by the near-coast primary microseisms rather than the far-field long period secondary microseisms, and (2) instead of the distant ocean waves, local scatter effects are the major sources of the CCF coda train.

  9. Quantitative muscle strength assessment in duchenne muscular dystrophy: longitudinal study and correlation with functional measures

    PubMed Central

    2012-01-01

    Background The aim of this study was to perform a longitudinal assessment using Quantitative Muscle Testing (QMT) in a cohort of ambulant boys affected by Duchenne muscular dystrophy (DMD) and to correlate the results of QMT with functional measures. This study is to date the most thorough long-term evaluation of QMT in a cohort of DMD patients correlated with other measures, such as the North Star Ambulatory Assessment (NSAA) or thee 6-min walk test (6MWT). Methods This is a single centre, prospective, non-randomised, study assessing QMT using the Kin Com® 125 machine in a study cohort of 28 ambulant DMD boys, aged 5 to 12 years. This cohort was assessed longitudinally over a 12 months period of time with 3 monthly assessments for QMT and with assessment of functional abilities, using the NSAA and the 6MWT at baseline and at 12 months only. QMT was also used in a control group of 13 healthy age-matched boys examined at baseline and at 12 months. Results There was an increase in QMT over 12 months in boys below the age of 7.5 years while in boys above the age of 7.5 years, QMT showed a significant decrease. All the average one-year changes were significantly different than those experienced by healthy controls. We also found a good correlation between quantitative tests and the other measures that was more obvious in the stronger children. Conclusion Our longitudinal data using QMT in a cohort of DMD patients suggest that this could be used as an additional tool to monitor changes, providing additional information on segmental strength. PMID:22974002

  10. The Neural Correlates of Long-Term Carryover following Functional Electrical Stimulation for Stroke

    PubMed Central

    Gandolla, Marta; Ward, Nick S.; Molteni, Franco; Guanziroli, Eleonora; Ferrigno, Giancarlo; Pedrocchi, Alessandra

    2016-01-01

    Neurorehabilitation effective delivery for stroke is likely to be improved by establishing a mechanistic understanding of how to enhance adaptive plasticity. Functional electrical stimulation is effective at reducing poststroke foot drop; in some patients, the effect persists after therapy has finished with an unknown mechanism. We used fMRI to examine neural correlates of functional electrical stimulation key elements, volitional intent to move and concurrent stimulation, in a group of chronic stroke patients receiving functional electrical stimulation for foot-drop correction. Patients exhibited task-related activation in a complex network, sharing bilateral sensorimotor and supplementary motor activation with age-matched controls. We observed consistent separation of patients with and without carryover effect on the basis of brain responses. Patients who experienced the carryover effect had responses in supplementary motor area that correspond to healthy controls; the interaction between experimental factors in contralateral angular gyrus was seen only in those without carryover. We suggest that the functional electrical stimulation carryover mechanism of action is based on movement prediction and sense of agency/body ownership—the ability of a patient to plan the movement and to perceive the stimulation as a part of his/her own control loop is important for carryover effect to take place. PMID:27073701

  11. In Vivo Imaging of the Photoreceptor Mosaic in Retinal Dystrophies and Correlations with Visual Function

    PubMed Central

    Choi, Stacey S.; Doble, Nathan; Hardy, Joseph L.; Jones, Steven M.; Keltner, John L.; Olivier, Scot S.; Werner, John S.

    2008-01-01

    Purpose To relate in vivo microscopic retinal changes to visual function in patients who have various forms of retinal dystrophy. Methods The UC Davis Adaptive Optics (AO) fundus camera was used to acquire in vivo retinal images at the cellular level. Visual function tests consisting of visual fields, multifocal electroretinography (mfERG), and contrast sensitivity were measured in all subjects by using stimuli that were coincident with areas imaged. Five patients with different forms of retinal dystrophy and three control subjects were recruited. Cone densities were quantified for all retinal images. Results In all images of diseased retinas, there were extensive areas of dark space between groups of photoreceptors, where no cone photoreceptors were evident. These irregular features were not seen in healthy retinas, but were apparent in patients with retinal dystrophy. There were significant correlations between functional vision losses and the extent to which these irregularities, quantified by cone density, occurred in retinal images. Conclusions AO fundus imaging is a reliable technique for assessing and quantifying the changes in the photoreceptor layer as disease progresses. Furthermore, this technique can be useful in cases where visual function tests provide borderline or ambiguous results, as it allows visualization of individual photoreceptors. PMID:16639019

  12. The Neural Correlates of Long-Term Carryover following Functional Electrical Stimulation for Stroke.

    PubMed

    Gandolla, Marta; Ward, Nick S; Molteni, Franco; Guanziroli, Eleonora; Ferrigno, Giancarlo; Pedrocchi, Alessandra

    2016-01-01

    Neurorehabilitation effective delivery for stroke is likely to be improved by establishing a mechanistic understanding of how to enhance adaptive plasticity. Functional electrical stimulation is effective at reducing poststroke foot drop; in some patients, the effect persists after therapy has finished with an unknown mechanism. We used fMRI to examine neural correlates of functional electrical stimulation key elements, volitional intent to move and concurrent stimulation, in a group of chronic stroke patients receiving functional electrical stimulation for foot-drop correction. Patients exhibited task-related activation in a complex network, sharing bilateral sensorimotor and supplementary motor activation with age-matched controls. We observed consistent separation of patients with and without carryover effect on the basis of brain responses. Patients who experienced the carryover effect had responses in supplementary motor area that correspond to healthy controls; the interaction between experimental factors in contralateral angular gyrus was seen only in those without carryover. We suggest that the functional electrical stimulation carryover mechanism of action is based on movement prediction and sense of agency/body ownership-the ability of a patient to plan the movement and to perceive the stimulation as a part of his/her own control loop is important for carryover effect to take place. PMID:27073701

  13. Scalable properties of metal clusters: A comparative study of modern exchange-correlation functionals

    NASA Astrophysics Data System (ADS)

    Koitz, Ralph; Soini, Thomas M.; Genest, Alexander; Trickey, S. B.; Rösch, Notker

    2012-07-01

    The performance of eight generalized gradient approximation exchange-correlation (xc) functionals is assessed by a series of scalar relativistic all-electron calculations on octahedral palladium model clusters Pdn with n = 13, 19, 38, 55, 79, 147 and the analogous clusters Aun (for n up through 79). For these model systems, we determined the cohesive energies and average bond lengths of the optimized octahedral structures. We extrapolate these values to the bulk limits and compare with the corresponding experimental values. While the well-established functionals BP, PBE, and PW91 are the most accurate at predicting energies, the more recent forms PBEsol, VMTsol, and VT{84}sol significantly improve the accuracy of geometries. The observed trends are largely similar for both Pd and Au. In the same spirit, we also studied the scalability of the ionization potentials and electron affinities of the Pd clusters, and extrapolated those quantities to estimates of the work function. Overall, the xc functionals can be classified into four distinct groups according to the accuracy of the computed parameters. These results allow a judicious selection of xc approximations for treating transition metal clusters.

  14. Limited rotation-invariant pattern recognition using optical wavelet circular harmonic function minimum average correlation energy (MACE) filter

    NASA Astrophysics Data System (ADS)

    Lee, Ha-Woon; Kim, Jeong-Woo; Kim, Cheol S.; Kim, Soo-Joong

    1995-04-01

    The optical wavelet circular harmonic function minimum average correlation energy (WCHF- MACE) filter is proposed. The proposed WCHF-MACE filter uses the wavelet transformed image by Mexican-hat wavelet function for circular harmonic function and the multiple harmonic components of circular harmonic function are used for MACE filter synthesis. The proposed filter has good discrimination compared with the conventional circular harmonic function filter and conventional circular harmonic MACE filter about the limited rotated images. And the filter is made of the type of optical wavelet matched filter (WMF), so that the proposed filter can use the conventional 4f correlator.

  15. Correlations between risk factors and functional evolution in patients with spastic quadriplegia.

    PubMed

    Rogoveanu, O C; Tuțescu, N C; Kamal, D; Alexandru, D O; Kamal, C; Streba, L; Trăistaru, M R

    2016-01-01

    Cerebral palsy is the most common cause of developing neuro-motor disability in children, in many cases, the triggering cause remaining unknown. Quadriplegia is the most severe spastic cerebral palsy, characterized by severe mental retardation and bi-pyramidal syndrome. The purpose of this paper was to demonstrate the importance of knowing the risk factors and the psychosomatic ones, determining to what extent they influence the functional evolution in patients diagnosed with spastic quadriplegia. 23 children diagnosed with spastic quadriplegia were included in the study, being aged between 1 year and half and 12 years. Patients were assessed at baseline (T1), at one year (T2) and after two years at the end of the study (T3). Patients received a comprehensive rehabilitation program for the motor and sensory deficits throughout the study. Initially, a comprehensive evaluation (etiopathogenic, clinical and functional) that started from a thorough medical history of children (the older ones), was conducted but chose parents to identify the risk factors, and a complete physical exam. At each assessment, joint and muscle balance was conducted. To assess functionality, the gross motor function classification systems (GMFCS) and manual ability (MACS) were used. Many risk factors that were classified according to the timeline in prenatal factors, perinatal and postnatal, were identified from a thorough history. A direct correlation was noticed between the decrease of coarse functionality and manual ability, both initially and in dynamic and low APGAR scores, low gestational age, low birth weight and a higher body mass index of the mother. A direct link was observed between the gross motor function and the manual ability. A significant improvement in the MACS score was noticed in patients with a better GMFCS score. PMID:27453749

  16. Functional connectivity and structural covariance between regions of interest can be measured more accurately using multivariate distance correlation.

    PubMed

    Geerligs, Linda; Cam-Can; Henson, Richard N

    2016-07-15

    Studies of brain-wide functional connectivity or structural covariance typically use measures like the Pearson correlation coefficient, applied to data that have been averaged across voxels within regions of interest (ROIs). However, averaging across voxels may result in biased connectivity estimates when there is inhomogeneity within those ROIs, e.g., sub-regions that exhibit different patterns of functional connectivity or structural covariance. Here, we propose a new measure based on "distance correlation"; a test of multivariate dependence of high dimensional vectors, which allows for both linear and non-linear dependencies. We used simulations to show how distance correlation out-performs Pearson correlation in the face of inhomogeneous ROIs. To evaluate this new measure on real data, we use resting-state fMRI scans and T1 structural scans from 2 sessions on each of 214 participants from the Cambridge Centre for Ageing & Neuroscience (Cam-CAN) project. Pearson correlation and distance correlation showed similar average connectivity patterns, for both functional connectivity and structural covariance. Nevertheless, distance correlation was shown to be 1) more reliable across sessions, 2) more similar across participants, and 3) more robust to different sets of ROIs. Moreover, we found that the similarity between functional connectivity and structural covariance estimates was higher for distance correlation compared to Pearson correlation. We also explored the relative effects of different preprocessing options and motion artefacts on functional connectivity. Because distance correlation is easy to implement and fast to compute, it is a promising alternative to Pearson correlations for investigating ROI-based brain-wide connectivity patterns, for functional as well as structural data. PMID:27114055

  17. Correlation functions of the KdV hierarchy and applications to intersection numbers over M bar g , n

    NASA Astrophysics Data System (ADS)

    Bertola, Marco; Dubrovin, Boris; Yang, Di

    2016-07-01

    We derive an explicit generating function of correlation functions of an arbitrary tau-function of the KdV hierarchy. In particular applications, our formulation gives closed formulæ of a new type for the generating series of intersection numbers of ψ-classes as well as of mixed ψ- and κ-classes in full genera.

  18. The Correlation between Lung Sound Distribution and Pulmonary Function in COPD Patients

    PubMed Central

    Mineshita, Masamichi; Kida, Hirotaka; Handa, Hiroshi; Nishine, Hiroki; Furuya, Naoki; Nobuyama, Seiichi; Inoue, Takeo; Matsuoka, Shin; Miyazawa, Teruomi

    2014-01-01

    Background Regional lung sound intensity in chronic obstructive pulmonary disease (COPD) patients is influenced by the severity and distribution of emphysema, obstructed peripheral airways, and altered ribcage and diaphragm configurations and movements due to hyperinflation. Changes in the lung sound distribution accompanied by pulmonary function improvements in COPD patients were observed after bronchodilator inhalation. We investigated the association of lung sound distribution with pulmonary functions, and the effects of emphysematous lesions on this association. These studies were designed to acquire the basic knowledge necessary for the application of lung sound analysis in the physiological evaluation of COPD patients. Methods Pulmonary function tests and the percentage of upper- and lower-lung sound intensity (quantitative lung data [QLD]) were evaluated in 47 stable male COPD patients (54 - 82 years of age). In 39 patients, computed tomography taken within 6 months of the study was available and analyzed. Results The ratio of lower QLD to upper QLD showed significant positive correlations with FEV1 %predicted (%FEV1; ρ = 0.45, p<0.005) and MEF50 %predicted (%MEF50; ρ = 0.46, p<0.005). These correlations were not observed in COPD patients with dominant emphysema (% low attenuation area >40%, n = 20) and were stronger in less emphysematous patients (n = 19, %FEV1; ρ = 0.64, p<0.005, %MEF50; ρ = 0.71, p<0.001). Conclusions In COPD patients, the ratio of lower- to upper-lung sound intensities decreased according to the severity of obstructive changes, although emphysematous lesions considerably affected lung sound distribution. PMID:25244247

  19. 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

  20. Spatial dependence of correlation functions in the decay problem for a passive scalar in a large-scale velocity field

    SciTech Connect

    Vergeles, S. S.

    2006-04-15

    Statistical characteristics of a passive scalar advected by a turbulent velocity field are considered in the decay problem with a low scalar diffusivity {kappa} (large Prandtl number v/{kappa}, where v is kinematic viscosity). A regime in which the scalar correlation length remains smaller than the velocity correlation length is analyzed. The equal-time correlation functions of the scalar field are found to vary according to power laws and have angular singularities reflecting locally layered distribution of the scalar in space.

  1. Impact of transient emotions on functional connectivity during subsequent resting state: a wavelet correlation approach.

    PubMed

    Eryilmaz, Hamdi; Van De Ville, Dimitri; Schwartz, Sophie; Vuilleumier, Patrik

    2011-02-01

    The functional properties of resting brain activity are poorly understood, but have generally been related to self-monitoring and introspective processes. Here we investigated how emotionally positive and negative information differentially influenced subsequent brain activity at rest. We acquired fMRI data in 15 participants during rest periods following fearful, joyful, and neutral movies. Several brain regions were more active during resting than during movie-watching, including posterior/anterior cingulate cortices (PCC, ACC), bilateral insula and inferior parietal lobules (IPL). Functional connectivity at different frequency bands was also assessed using a wavelet correlation approach and small-world network analysis. Resting activity in ACC and insula as well as their coupling were strongly enhanced by preceding emotions, while coupling between ventral-medial prefrontal cortex and amygdala was selectively reduced. These effects were more pronounced after fearful than joyful movies for higher frequency bands. Moreover, the initial suppression of resting activity in ACC and insula after emotional stimuli was followed by a gradual restoration over time. Emotions did not affect IPL average activity but increased its connectivity with other regions. These findings reveal specific neural circuits recruited during the recovery from emotional arousal and highlight the complex functional dynamics of default mode networks in emotionally salient contexts. PMID:20955802

  2. Correlates of functional status, self-management, and developmental competence outcomes in adolescents with spina bifida.

    PubMed

    Sawin, Kathleen J; Buran, Constance F; Brei, Timothy J; Fastenau, Philip S

    2003-01-01

    Adolescents with spina bifida (SB), a congenital spinal cord impairment, are at high risk for negative outcomes. Even those with favorable cognitive status often fail to achieve independence, exhibiting poor functional and psychosocial outcomes. The purpose of this study was to examine the relationship between adaptation outcomes (functional status, self-management, and developmental competence) and SB condition-specific, adolescent protective factors, and family protective factors in a sample of adolescents with SB. Individual, interpersonal, and social developmental competence were explored. Sixty-six adolescent/parent pairs were interviewed. Data analysis included descriptive statistics, Cronbach alpha coefficients, and partial correlations controlling for age. All instruments had acceptable reliabilities. Factors associated with outcomes generally fell into two patterns. SB condition-specific variables and adolescent activities (e.g., decision-making, household responsibilities) were related to functional status, self-management, and social competence. In contrast, adolescent beliefs (hope, attitude, and communication efficacy) were predominantly related to individual, interpersonal, and overall developmental competence. PMID:14626030

  3. Correlating structure and function during the evolution of fibrinogen-related domains.

    PubMed

    Doolittle, Russell F; McNamara, Kyle; Lin, Kevin

    2012-12-01

    Fibrinogen-related domains (FReDs) are found in a variety of animal proteins with widely different functions, ranging from non-self recognition to clot formation. All appear to have a common surface where binding of one sort or other occurs. An examination of 19 completed animal genomes--including a sponge and sea anemone, six protostomes, and 11 deuterostomes--has allowed phylogenies to be constructed that show where various types of FReP (proteins containing FReDs) first made their appearance. Comparisons of sequences and structures also reveal particular features that correlate with function, including the influence of neighbor-domains. A particular set of insertions in the carboxyl-terminal subdomain was involved in the transition from structures known to bind sugars to those known to bind amino-terminal peptides. Perhaps not unexpectedly, FReDs with different functions have changed at different rates, with ficolins by far the fastest changing group. Significantly, the greatest amount of change in ficolin FReDs occurs in the third subdomain ("P domain"), the very opposite of the situation in most other vertebrate FReDs. The unbalanced style of change was also observed in FReDs from non-chordates, many of which have been implicated in innate immunity. PMID:23076991

  4. Neutrophilic Bronchial Inflammation Correlates with Clinical and Functional Findings in Patients with Noncystic Fibrosis Bronchiectasis.

    PubMed

    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. 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

  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. 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

  8. New geometric representations of the CMB two-point correlation function

    NASA Astrophysics Data System (ADS)

    Froes, Andre L. D.; Pereira, Thiago S.; Bernui, Armando; Starkman, Glenn D.

    2015-08-01

    When searching for deviations of statistical isotropy in the cosmic microwave background, a popular strategy is to write the two-point correlation function (2pcf) as the most general function of four spherical angles (i.e., two unit vectors) in the celestial sphere. Then, using a basis of bipolar spherical harmonics, statistical anisotropy will show up if and only if any coefficient of the expansion with nontrivial bipolar momentum is detected—although this detection will not in general elucidate the origin of the anisotropy. In this work we show that two new sets of four angles and basis functions exist which completely specify the 2pcf, while, at the same time, offering a possible geometrical interpretation of the mechanisms generating the signal. Since the coefficients of these expansions are zero if and only if isotropy holds, they act as a simple and geometrically motivated null test of statistical isotropy, with the advantage of allowing cosmic variance to be controlled in a systematic way. We report the results of the application of these null tests to the latest temperature data released by the Planck Collaboration.

  9. 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

  10. SiC-CMC-Zircaloy-4 Nuclear Fuel Cladding Performance during 4-Point Tubular Bend Testing

    SciTech Connect

    IJ van Rooyen; WR Lloyd; TL Trowbridge; SR Novascone; KM Wendt; SM Bragg-Sitton

    2013-09-01

    The U.S. Department of Energy Office of Nuclear Energy (DOE NE) established the Light Water Reactor Sustainability (LWRS) program to develop technologies and other solutions to improve the reliability, sustain the safety, and extend the life of current reactors. The Advanced LWR Nuclear Fuel Development Pathway in the LWRS program encompasses strategic research focused on improving reactor core economics and safety margins through the development of an advanced fuel cladding system. Recent investigations of potential options for “accident tolerant” nuclear fuel systems point to the potential benefits of silicon carbide (SiC) cladding. One of the proposed SiC-based fuel cladding designs being investigated incorporates a SiC ceramic matrix composite (CMC) as a structural material supplementing an internal Zircaloy-4 (Zr-4) liner tube, referred to as the hybrid clad design. Characterization of the advanced cladding designs will include a number of out-of-pile (nonnuclear) tests, followed by in-pile irradiation testing of the most promising designs. One of the out-of-pile characterization tests provides measurement of the mechanical properties of the cladding tube using four point bend testing. Although the material properties of the different subsystems (materials) will be determined separately, in this paper we present results of 4-point bending tests performed on fully assembled hybrid cladding tube mock-ups, an assembled Zr-4 cladding tube mock-up as a standard and initial testing results on bare SiC-CMC sleeves to assist in defining design parameters. The hybrid mock-up samples incorporated SiC-CMC sleeves fabricated with 7 polymer impregnation and pyrolysis (PIP) cycles. To provide comparative information; both 1- and 2-ply braided SiC-CMC sleeves were used in this development study. Preliminary stress simulations were performed using the BISON nuclear fuel performance code to show the stress distribution differences for varying lengths between loading points

  11. The mean density and two-point correlation function for the CfA redshift survey slices

    NASA Technical Reports Server (NTRS)

    De Lapparent, Valerie; Geller, Margaret J.; Huchra, John P.

    1988-01-01

    The effect of large-scale inhomogeneities on the determination of the mean number density and the two-point spatial correlation function were investigated for two complete slices of the extension of the Center for Astrophysics (CfA) redshift survey (de Lapparent et al., 1986). It was found that the mean galaxy number density for the two strips is uncertain by 25 percent, more so than previously estimated. The large uncertainty in the mean density introduces substantial uncertainty in the determination of the two-point correlation function, particularly at large scale; thus, for the 12-deg slice of the CfA redshift survey, the amplitude of the correlation function at intermediate scales is uncertain by a factor of 2. The large uncertainties in the correlation functions might reflect the lack of a fair sample.

  12. On fermionic shadow wave functions for strongly correlated multi-reference systems based on a single Slater determinant

    NASA Astrophysics Data System (ADS)

    Calcavecchia, Francesco; Kühne, Thomas D.

    2015-04-01

    We demonstrate that extending the shadow wave function to fermionic systems facilitates to accurately calculate strongly correlated multi-reference systems such as the stretched {H}2 molecule. This development considerably extends the scope of electronic-structure calculations and enables to efficiently recover the static correlation energy using just a single Slater determinant.

  13. Correlating changes in lung function with patient outcomes in chronic obstructive pulmonary disease: a pooled analysis

    PubMed Central

    2011-01-01

    Background Relationships between improvements in lung function and other clinical outcomes in chronic obstructive pulmonary disease (COPD) are not documented extensively. We examined whether changes in trough forced expiratory volume in 1 second (FEV1) are correlated with changes in patient-reported outcomes. Methods Pooled data from three indacaterol studies (n = 3313) were analysed. Means and responder rates for outcomes including change from baseline in Transition Dyspnoea Index (TDI), St. George's Respiratory Questionnaire (SGRQ) scores (at 12, 26 and 52 weeks), and COPD exacerbation frequency (rate/year) were tabulated across categories of ΔFEV1. Also, generalised linear modelling was performed adjusting for covariates such as baseline severity and inhaled corticosteroid use. Results With increasing positive ΔFEV1, TDI and ΔSGRQ improved at all timepoints, exacerbation rate over the study duration declined (P < 0.001). Individual-level correlations were 0.03-0.18, but cohort-level correlations were 0.79-0.95. At 26 weeks, a 100 ml increase in FEV1 was associated with improved TDI (0.46 units), ΔSGRQ (1.3-1.9 points) and exacerbation rate (12% decrease). Overall, adjustments for baseline covariates had little impact on the relationship between ΔFEV1 and outcomes. Conclusions These results suggest that larger improvements in FEV1 are likely to be associated with larger patient-reported benefits across a range of clinical outcomes. Trial Registration ClinicalTrials.gov NCT00393458, NCT00463567, and NCT00624286 PMID:22206353

  14. Regional structure-function correlations in chronic obstructive lung disease measured with positron emission tomography.

    PubMed Central

    Brudin, L H; Rhodes, C G; Valind, S O; Buckingham, P D; Jones, T; Hughes, J M

    1992-01-01

    BACKGROUND: Positron emission tomography, performed with isotopes of very short half life, can be used to relate local lung tissue density to local ventilation and to the ventilation:perfusion ratio. This method has been used in 10 patients with severe chronic airflow obstruction and differing values for carbon monoxide transfer factor (TLCO) and transfer coefficient (KCO). METHODS: Ventilation (VA) and the ventilation:perfusion ratio (V/Q), lung density, and blood volume were measured regionally in a single transaxial section at mid-heart level with the patients in a supine position. Alveolar volume, extravascular tissue lung density, and perfusion (Q) were derived. Twenty five regions with abnormalities in the ventilation images were analysed. RESULTS: Tissue density showed a negative correlation with the ratio V/Q (r = 0.55) and a positive correlation with Q (r = 0.59) and blood volume (r = 0.65). In four patients with a low carbon monoxide transfer factor (TLCO) and transfer coefficient (KCO) < 50% predicted many regions with low VA had low tissue density and normal or high V/Q. On the other hand, in four patients with TLCO and KCO > 50% predicted many regions with low VA had normal or high tissue density and low values of V/Q. The other two patients had patterns between these two extremes. Individual ratios between mean values of tissue density and V/Q had a positive correlation with KCO (% pred; r = 0.79). CONCLUSIONS: These findings link structural differences with distinctive functional patterns; they reinforce the view that bronchial inflammation or oedema predominate in some patients with chronic airflow obstruction, whereas alveolar destruction is the major feature in others. Images PMID:1465748

  15. Benchmark calculations with correlated molecular wave functions. VII. Binding energy and structure of the HF dimer

    SciTech Connect

    Peterson, K.A. ); Dunning, T.H. Jr. )

    1995-02-01

    The hydrogen bond energy and geometry of the HF dimer have been investigated using the series of correlation consistent basis sets from aug-cc-pVDZ to aug-cc-pVQZ and several theoretical methods including Moller--Plesset perturbation and coupled cluster theories. Estimates of the complete basis set (CBS) limit have been derived for the binding energy of (HF)[sub 2] at each level of theory by utilizing the regular convergence characteristics of the correlation consistent basis sets. CBS limit hydrogen bond energies of 3.72, 4.53, 4.55, and 4.60 kcal/mol are estimated at the SCF, MP2, MP4, and CCSD(T) levels of theory, respectively. CBS limits for the intermolecular F--F distance are estimated to be 2.82, 2.74, 2.73, and 2.73 A, respectively, for the same correlation methods. The effects of basis set superposition error (BSSE) on both the binding energies and structures have also been investigated for each basis set using the standard function counterpoise (CP) method. While BSSE has a negligible effect on the intramolecular geometries, the CP-corrected F--F distance and binding energy differ significantly from the uncorrected values for the aug-cc-pVDZ basis set; these differences decrease regularly with increasing basis set size, yielding the same limits in the CBS limit. Best estimates for the equilibrium properties of the HF dimer from CCSD(T) calculations are [ital D][sub [ital e

  16. Individual Variability in Sensorimotor Network Functional Connectivity Correlates With the Rate of Early Visuomotor Adaptation

    NASA Technical Reports Server (NTRS)

    Cassady, K.; Ruitenberg, M.; Koppelmans, V.; DeDios, Y.; Gadd, N.; Wood, S.; Reuter-Lorenz, P.; Riascos, R.; Kofman, I.; Bloomberg, J.; Mulavara, A.; Seidler, R.

    2016-01-01

    Sensorimotor adaptation is a type of procedural motor learning that enables individuals to preserve accurate movements in the presence of external or internal perturbations. Adaptation learning can be divided into an early, more cognitively demanding stage, and a later, more automatic stage. In recent years, several investigations have identified significant associations between sensorimotor adaptation and brain structure and function. However, the question of whether individual variability in functional connectivity strength is predictive of sensorimotor adaptation performance has been largely unaddressed. In the present study, we investigate whether such variability in early sensorimotor adaptation is associated with individual differences in resting-state functional connectivity. We used resting state functional magnetic resonance imaging (rs-fMRI) to estimate functional connectivity strength using hypothesis-driven (seed-to-voxel) and hypothesis-free (voxel-to-voxel) approaches. For the hypothesis-driven analysis, we selected several regions of interest (ROIs) from sensorimotor and default mode networks of the brain. We then correlated these connectivity measures with the rate of early learning during a visuomotor adaptation task in 16 healthy participants. For this task, participants lay supine in the MRI scanner and moved an MRI-compatible dual axis joystick with their right hand to hit targets presented on a screen. Each movement was initiated from the central position on the display screen. Participants were instructed to move the cursor to the target as quickly as possible by moving the joystick, and to hold the cursor within the target until it disappeared. They were then instructed to release the joystick handle after target disappearance, allowing the cursor to re-center for the next trial. Performance was assessed by measuring direction error (DE), defined as the angle between the line from the start to the target position, and the line from the start

  17. Spin-spin correlation functions of spin systems coupled to 2-d quantum gravity for 0 < c < 1.

    NASA Astrophysics Data System (ADS)

    Ambjørn, J.; Anagnostopoulos, K. N.; Magnea, U.; Thorleifsson, G.

    1997-02-01

    We perform Monte Carlo simulations of 2-d dynamically triangulated surfaces coupled to Ising and three-states Potts model matter. By measuring spin-spin correlation functions as a function of the geodesic distance we provide substantial evidence for a diverging correlation length at βc. The corresponding scaling exponents are directly related to the KPZ exponents of the matter fields as conjectured in [4].

  18. Explicitly correlated wave functions for atoms and singly charged ions from Li through Sr: Variational and Diffusion Monte Carlo results

    NASA Astrophysics Data System (ADS)

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

    2014-11-01

    Total energies calculated from explicitly correlated wave functions for the ground state of the atoms Li to Sr and their singly charged anions and cations are obtained. Accurate all electron, non-relativistic Variational and Diffusion Monte Carlo energies are reported. The quality of the results, when comparing with exact estimations and experimental electron affinities and ionization potential is similar for all of the atoms studied. The parameterization of the explicitly correlated wave functions for all of the atomic systems studied is provided.

  19. Structure-function correlations derived from faster variants of a RNA ligase deoxyribozyme.

    PubMed

    Prior, Tracey K; Semlow, Daniel R; Flynn-Charlebois, Amber; Rashid, Imran; Silverman, Scott K

    2004-01-01

    We previously reported the in vitro selection of several Mg2+-dependent deoxyribozymes (DNA enzymes) that synthesize a 2'-5' RNA linkage from a 2',3'-cyclic phosphate and a 5'-hydroxyl. Here we subjected the 9A2 deoxyribozyme to re-selection for improved ligation rate. We found two new DNA enzymes (7Z81 and 7Z48) that contain the catalytic core of 7Q10, a previously reported small deoxyribozyme that is unrelated in sequence to 9A2. A third new DNA enzyme (7Z101) is unrelated to either 7Q10 or 9A2. The new 7Z81 and 7Z48 DNA enzymes have ligation rates over an order of magnitude higher than that of 7Q10 itself and they have additional sequence elements that correlate with these faster rates. Our findings provide insight into structure-function relationships of catalytic nucleic acids. PMID:14960718

  20. Accurate potential energy curve of the LiH+ molecule calculated with explicitly correlated Gaussian functions.

    PubMed

    Tung, Wei-Cheng; Adamowicz, Ludwik

    2014-03-28

    Very accurate calculations of the ground-state potential energy curve (PEC) of the LiH(+) ion performed with all-electron explicitly correlated Gaussian functions with shifted centers are presented. The variational method is employed. The calculations involve optimization of nonlinear exponential parameters of the Gaussians performed with the aid of the analytical first derivatives of the energy determined with respect to the parameters. The diagonal adiabatic correction is also calculated for each PEC point. The PEC is then used to calculate the vibrational energies of the system. In that calculation, the non-adiabatic effects are accounted for by using an effective vibrational mass obtained by the minimization of the difference between the vibrational energies obtained from the calculations where the Born-Oppenheimer approximation was not assumed and the results of the present calculations. PMID:24697449

  1. Accurate potential energy curve of the LiH+ molecule calculated with explicitly correlated Gaussian functions

    NASA Astrophysics Data System (ADS)

    Tung, Wei-Cheng; Adamowicz, Ludwik

    2014-03-01

    Very accurate calculations of the ground-state potential energy curve (PEC) of the LiH+ ion performed with all-electron explicitly correlated Gaussian functions with shifted centers are presented. The variational method is employed. The calculations involve optimization of nonlinear exponential parameters of the Gaussians performed with the aid of the analytical first derivatives of the energy determined with respect to the parameters. The diagonal adiabatic correction is also calculated for each PEC point. The PEC is then used to calculate the vibrational energies of the system. In that calculation, the non-adiabatic effects are accounted for by using an effective vibrational mass obtained by the minimization of the difference between the vibrational energies obtained from the calculations where the Born-Oppenheimer approximation was not assumed and the results of the present calculations.

  2. Equation of state and spin-correlation functions of ultrasmall classical Heisenberg magnets

    SciTech Connect

    Ciftja, O.; Luban, M.; Auslender, M.; Luscombe, J.H.

    1999-10-01

    We obtain analytical expressions for the total magnetic moment and the static spin-correlation functions of the classical Heisenberg model for ultrasmall systems of spins (unit vectors), that interact via isotropic, nearest-neighbor (n-n) exchange and that are subject to a uniform dc magnetic field of arbitrary strength. Explicit results are presented for the dimer, equilateral triangle, square, and regular tetrahedron arrays of spins. These systems provide a useful theoretical framework for calculating the magnetic properties of several recently synthesized molecular magnets. The tetrahedron as well as the equilateral triangle systems, each considered for n-n antiferromagnetic exchange, are of particular interest since they exhibit frustrated spin ordering for sufficiently low temperatures and weak magnetic fields. {copyright} {ital 1999} {ital The American Physical Society}

  3. Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters.

    PubMed

    Bubin, Sergiy; Adamowicz, Ludwik

    2006-06-14

    In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation. PMID:16784284

  4. Probing two-field open inflation by resonant signals in correlation functions

    SciTech Connect

    Battefeld, Thorsten; Niemeyer, Jens C.; Vlaykov, Dimitar E-mail: niemeyer@astro.physik.uni-goettingen.de

    2013-05-01

    We derive oscillatory signals in correlation functions in two-field open inflation by means of the in-in formalism; such signatures are caused by resonances between oscillations in the tunnelling field and fluctuations in the inflaton during the curvature dominated, intermediate and subsequent inflationary regime. While amplitudes are model-dependent, we find distinct oscillations in the power and bi-spectrum that can act as a direct probe of the curvature dominated phase and thus, indirectly, strengthen the claim of the string landscape if they were observed. We comment on the prospects of detecting these tell-tale signs in current experiments, which is challenging, but not impossible. At the technical level, we pay special attention to the applicability conditions for truncating fluctuations to the light (inflaton) field and derive upper limits on the oscillation amplitude of the heavy field. A violation of these bounds requires a multi-field analysis at the perturbed level.

  5. Finite-element-method expectation values for correlated two-electron wave functions

    SciTech Connect

    Ackermann, J.

    1995-09-01

    The Schroedinger equation for the ground state of correlated two-electron atoms is treated by an accurate finite-element method (FEM) yielding energy eigenvalues of {minus}2.903 724 377 021 a.u. for the helium atom and {minus}0.527 751 016 532 a.u. for the hydrogen ion H{sup {minus}}. By means of an adaptive multilevel grid refinement the FEM energy eigenvalue is improved to a precision of 1{times}10{sup {minus}11} a.u., which is comparable to results obtained with sophisticated global basis sets. The local and overall precision of the FEM wave function approximation is studied and discussed. Benchmark values for the expectation values {l_angle}{ital r}{sup 2}{r_angle}, {l_angle}{ital r}{r_angle}, {l_angle}1/{ital r}{r_angle}, and {l_angle}1/{ital r}{sub 12}{r_angle} are presented.

  6. Aberration corrected imaging of a carbon nanotube encapsulated Lindqvist Ion and correlation with Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Sloan, J.; Bichoutskaia, E.; Liu, Z.; Kuganathan, N.; Faulques, E.; Suenaga, K.; Shannon, I. J.

    2012-07-01

    80 kV aberration-corrected transmission electron microscopy (AC-TEM) of discrete [W6O19]2- polyoxometalate ions mounted within double walled carbon nanotubes (DWNTs) allow high precision structural studies to be performed. W atom column separations within the octahedral W6 tungsten template can be visualized with sufficient clarity that correlation with full-scale density functional theory (DFT) can be achieved. Calculations performed on the gas phase and DWNT-mounted [W6O19]2- anions show good agreement, in the latter case, with measured separations between pairs of W2 atom columns imaged within equatorial WO6 octahedra and single W atoms within axial WO6 octahedra. Structural data from the tilted chiral encapsulating DWNT was also determined simultaneously with the anion structural measurements, allowing the nanotube conformation to be addressed in the DFT calculations.

  7. Correlation between the wear resistance of Cu-Ni alloy and its electron work function

    NASA Astrophysics Data System (ADS)

    Huang, X. C.; Lu, H.; He, H. B.; Yan, X. G.; Li, D. Y.

    2015-12-01

    This article reports our studies on the performance of isomorphous Cu-Ni alloy during sliding and erosive wear processes with attempt to correlate its wear behaviour with the electron work function (EWF). EWF, mechanical behaviour and wear resistance of the Cu-Ni alloy with respect to the concentration of Ni were measured using ultraviolet photoelectron spectroscopy, micro-indenter, pin-on-disc and air-jet testers, respectively. It was demonstrated that EWF, hardness and Young's modulus of the alloy increased as the concentration of Ni increased. During solid-particle erosion tests, the wear resistance of the alloy was enhanced with an increase in the Ni concentration, corresponding to an increase in EWF. However, an opposite trend was observed during sliding wear tests, which was ascribed to the formation of oxide scale that affected the sliding wear resistance.

  8. Behavioral and neural correlates of executive functioning in musicians and non-musicians.

    PubMed

    Zuk, Jennifer; Benjamin, Christopher; Kenyon, Arnold; Gaab, Nadine

    2014-01-01

    Executive functions (EF) are cognitive capacities that allow for planned, controlled behavior and strongly correlate with academic abilities. Several extracurricular activities have been shown to improve EF, however, the relationship between musical training and EF remains unclear due to methodological limitations in previous studies. To explore this further, two experiments were performed; one with 30 adults with and without musical training and one with 27 musically trained and untrained children (matched for general cognitive abilities and socioeconomic variables) with a standardized EF battery. Furthermore, the neural correlates of EF skills in musically trained and untrained children were investigated using fMRI. Adult musicians compared to non-musicians showed enhanced performance on measures of cognitive flexibility, working memory, and verbal fluency. Musically trained children showed enhanced performance on measures of verbal fluency and processing speed, and significantly greater activation in pre-SMA/SMA and right VLPFC during rule representation and task-switching compared to musically untrained children. Overall, musicians show enhanced performance on several constructs of EF, and musically trained children further show heightened brain activation in traditional EF regions during task-switching. These results support the working hypothesis that musical training may promote the development and maintenance of certain EF skills, which could mediate the previously reported links between musical training and enhanced cognitive skills and academic achievement. PMID:24937544

  9. Segregation of Acetylcholine and GABA in the Rat Superior Cervical Ganglia: Functional Correlation.

    PubMed

    Elinos, Diana; Rodríguez, Raúl; Martínez, Luis Andres; Zetina, María Elena; Cifuentes, Fredy; Morales, Miguel Angel

    2016-01-01

    Sympathetic neurons have the capability to segregate their neurotransmitters (NTs) and co-transmitters to separate varicosities of single axons; furthermore, in culture, these neurons can even segregate classical transmitters. In vivo sympathetic neurons employ acetylcholine (ACh) and other classical NTs such as gamma aminobutyric acid (GABA). Herein, we explore whether these neurons in vivo segregate these classical NTs in the superior cervical ganglia of the rat. We determined the topographical distribution of GABAergic varicosities, somatic GABAA receptor, as well as the regional distribution of the segregation of ACh and GABA. We evaluated possible regional differences in efficacy of ganglionic synaptic transmission, in the sensitivity of GABAA receptor to GABA and to the competitive antagonist picrotoxin (PTX). We found that sympathetic preganglionic neurons in vivo do segregate ACh and GABA. GABAergic varicosities and GABAA receptor expression showed a rostro-caudal gradient along ganglia; in contrast, segregation exhibited a caudo-rostral gradient. These uneven regional distributions in expression of GABA, GABAA receptors, and level of segregation correlate with stronger synaptic transmission found in the caudal region. Accordingly, GABAA receptors of rostral region showed larger sensitivity to GABA and PTX. These results suggest the presence of different types of GABAA receptors in each region that result in a different regional levels of endogenous GABA inhibition. Finally, we discuss a possible correlation of these different levels of GABA modulation and the function of the target organs innervated by rostral and caudal ganglionic neurons. PMID:27092054

  10. Herschel-ATLAS: The Angular Correlation Function of Submillimetre Galaxies at High and Low Redshift

    NASA Technical Reports Server (NTRS)

    Maddox, S. J.; Dunne, L.; Rigby, E.; Eales, S.; Cooray, A.; Scott, D.; Peacock, J. A.; Negrello, M.; Smith, D. J. B.; Benford, D.; Amblard, A.; Auld, R.; Baes, M.; Bonfield, D.; Burgarella, D.; Buttiglione, S.; Cava, A.; Clements, D.; Dariush, A.; deZotti, G.; Dye, S.; Frayer, D.; Fritz, J.; Gonzalez-Nuevo, J.; Herranz, D.

    2010-01-01

    We present measurements of the angular correlation function of galaxies selected from the first field of the H-ATLAS survey. Careful removal of the background from galactic cirrus is essential, and currently dominates the uncertainty in our measurements. For our 250 micrometer-selected sample we detect no significant clustering, consistent with the expectation that the 250 pm-selected sources are mostly normal galaxies at z < or equal to 1. For our 350 micrometer and 500 micrometer-selected samples we detect relatively strong clustering with correlation amplitudes A of 0.2 and 1.2 at 1', but with relatively large uncertainties. For samples which preferentially select high redshift galaxies at z approx. 2-3 we detect significant strong clustering, leading to an estimate of r(0) approx. 7-11/h Mpc. The slope of our clustering measurements is very steep. delta approx. 2. The measurements are consistent with the idea that sub-mm sources consist of a low redshift population of normal galaxies and a high redshift population of highly clustered star-bursting galaxies.

  11. Functional MRI during sleep: BOLD signal decreases and their electrophysiological correlates.

    PubMed

    Czisch, Michael; Wehrle, Renate; Kaufmann, Christian; Wetter, Thomas C; Holsboer, Florian; Pollmächer, Thomas; Auer, Dorothee P

    2004-07-01

    Prominent local decreases in blood oxygenation level (BOLD) can be observed by functional magnetic resonance imaging (fMRI) upon acoustic stimulation during sleep. The goal of this study was to further characterize this BOLD signal decrease with respect to corresponding neurophysiological phenomena using a simultaneous electroencephalography (EEG)/fMRI approach in sleeping human subjects. Healthy volunteers were subjected to acoustic stimulation during non-rapid eye movement (NREM) sleep. On the basis of statistical parametric maps, the correlations between the fMRI response (both amplitude and extent of the BOLD response) and the concomittant changes in the EEG (delta power and K-complexes) were calculated. Amplitude and extent of the stimulus-induced negative BOLD effect correlated positively with measures of EEG synchronization, namely an increase in the number of K-complexes and EEG delta power. Stimulus-induced BOLD decreases were most prominent during light (stage 2) NREM sleep and disappeared during slow wave sleep, indicating an influence of the baseline degree of hyperpolarization. Our observations provide first evidence that 'negative' BOLD signal changes during human sleep are associated with electrophysiological indicators of altered neuronal activity. Increased number of K-complexes and delta power reflecting hyperpolarization suggests true cortical deactivation upon stimulus presentation. This sleep stage-dependent deactivation might serve to protect the brain from arousing stimuli, particularly during the light phases of sleep shortly after sleep onset. PMID:15233766

  12. Measurement of noises and modulation transfer function of cameras used in optical-digital correlators

    NASA Astrophysics Data System (ADS)

    Evtikhiev, Nikolay N.; Starikov, Sergey N.; Cheryomkhin, Pavel A.; Krasnov, Vitaly V.

    2012-01-01

    Hybrid optical-digital systems based on diffractive correlator are being actively developed. To correctly estimate application capabilities of cameras of different types in optical-digital correlation systems knowledge of modulation transfer function (MTF) and light depended temporal and spatial noises is required. The method for measurement of 2D MTF is presented. The method based on random target method but instead of a random target the specially created target with flat power spectrum is used. It allows to measure MTF without averaging 1D Fourier spectra over rows or columns as is in the random target method and to achieve all values of 2D MTF instead of just two orthogonal cross-sections. The simple method for measuring the dependence of camera temporal noise on light signal value by shooting a single scene is described. Measurements results of light and dark spatial and temporal noises of cameras are presented. Procedure for obtaining camera's light spatial noise portrait (array of PRNU values for all photo sensor pixels) is presented. Results on measurements of MTF and temporal and spatial noises for consumer photo camera, machine vision camera and videosurveillance camera are presented.

  13. Segregation of Acetylcholine and GABA in the Rat Superior Cervical Ganglia: Functional Correlation

    PubMed Central

    Elinos, Diana; Rodríguez, Raúl; Martínez, Luis Andres; Zetina, María Elena; Cifuentes, Fredy; Morales, Miguel Angel

    2016-01-01

    Sympathetic neurons have the capability to segregate their neurotransmitters (NTs) and co-transmitters to separate varicosities of single axons; furthermore, in culture, these neurons can even segregate classical transmitters. In vivo sympathetic neurons employ acetylcholine (ACh) and other classical NTs such as gamma aminobutyric acid (GABA). Herein, we explore whether these neurons in vivo segregate these classical NTs in the superior cervical ganglia of the rat. We determined the topographical distribution of GABAergic varicosities, somatic GABAA receptor, as well as the regional distribution of the segregation of ACh and GABA. We evaluated possible regional differences in efficacy of ganglionic synaptic transmission, in the sensitivity of GABAA receptor to GABA and to the competitive antagonist picrotoxin (PTX). We found that sympathetic preganglionic neurons in vivo do segregate ACh and GABA. GABAergic varicosities and GABAA receptor expression showed a rostro-caudal gradient along ganglia; in contrast, segregation exhibited a caudo-rostral gradient. These uneven regional distributions in expression of GABA, GABAA receptors, and level of segregation correlate with stronger synaptic transmission found in the caudal region. Accordingly, GABAA receptors of rostral region showed larger sensitivity to GABA and PTX. These results suggest the presence of different types of GABAA receptors in each region that result in a different regional levels of endogenous GABA inhibition. Finally, we discuss a possible correlation of these different levels of GABA modulation and the function of the target organs innervated by rostral and caudal ganglionic neurons. PMID:27092054

  14. Metabolite Profiles Correlate Closely with Neurobehavioral Function in Experimental Spinal Cord Injury in Rats

    PubMed Central

    Fujieda, Yusuke; Ueno, Shinya; Ogino, Ryoko; Kuroda, Mariko; Jönsson, Thomas J.; Guo, Lining; Bamba, Takeshi; Fukusaki, Eiichiro

    2012-01-01

    Traumatic spinal cord injury (SCI) results in direct physical damage and the generation of local factors contributing to secondary pathogenesis. Untargeted metabolomic profiling was used to uncover metabolic changes and to identify relationships between metabolites and neurobehavioral functions in the spinal cord after injury in rats. In the early metabolic phase, neuronal signaling, stress, and inflammation-associated metabolites were strongly altered. A dynamic inflammatory response consisting of elevated levels of prostaglandin E2 and palmitoyl ethanolamide as well as pro- and anti-inflammatory polyunsaturated fatty acids was observed. N-acetyl-aspartyl-glutamate (NAAG) and N-acetyl-aspartate (NAA) were significantly decreased possibly reflecting neuronal cell death. A second metabolic phase was also seen, consistent with membrane remodeling and antioxidant defense response. These metabolomic changes were consistent with the pathology and progression of SCI. Several metabolites, including NAA, NAAG, and the ω-3 fatty acids docosapentaenoate and docosahexaenoate correlated greatly with the established Basso, Beattie and Bresnahan locomotive score (BBB score). Our findings suggest the possibility of a biochemical basis for BBB score and illustrate that metabolites may correlate with neurobehavior. In particular the NAA level in the spinal cord might provide a meaningful biomarker that could help to determine the degree of injury severity and prognosticate neurologic recovery. PMID:22912814

  15. Metabolite profiles correlate closely with neurobehavioral function in experimental spinal cord injury in rats.

    PubMed

    Fujieda, Yusuke; Ueno, Shinya; Ogino, Ryoko; Kuroda, Mariko; Jönsson, Thomas J; Guo, Lining; Bamba, Takeshi; Fukusaki, Eiichiro

    2012-01-01

    Traumatic spinal cord injury (SCI) results in direct physical damage and the generation of local factors contributing to secondary pathogenesis. Untargeted metabolomic profiling was used to uncover metabolic changes and to identify relationships between metabolites and neurobehavioral functions in the spinal cord after injury in rats. In the early metabolic phase, neuronal signaling, stress, and inflammation-associated metabolites were strongly altered. A dynamic inflammatory response consisting of elevated levels of prostaglandin E2 and palmitoyl ethanolamide as well as pro- and anti-inflammatory polyunsaturated fatty acids was observed. N-acetyl-aspartyl-glutamate (NAAG) and N-acetyl-aspartate (NAA) were significantly decreased possibly reflecting neuronal cell death. A second metabolic phase was also seen, consistent with membrane remodeling and antioxidant defense response. These metabolomic changes were consistent with the pathology and progression of SCI. Several metabolites, including NAA, NAAG, and the ω-3 fatty acids docosapentaenoate and docosahexaenoate correlated greatly with the established Basso, Beattie and Bresnahan locomotive score (BBB score). Our findings suggest the possibility of a biochemical basis for BBB score and illustrate that metabolites may correlate with neurobehavior. In particular the NAA level in the spinal cord might provide a meaningful biomarker that could help to determine the degree of injury severity and prognosticate neurologic recovery. PMID:22912814

  16. Neuroanatomical correlates of executive functions: A neuropsychological approach using the EXAMINER battery

    PubMed Central

    Robinson, Heather; Calamia, Matthew; Gläscher, Jan; Bruss, Joel; Tranel, Daniel

    2014-01-01

    Executive functions (EF) encompass a variety of higher-order capacities such as judgment, planning, decision-making, response monitoring, insight, and self-regulation. Measuring such abilities quantitatively and establishing their neural correlates has proven to be challenging. Here, using a lesion-deficit approach, we report the neural correlates of a variety of EF tests that were developed under the auspices of the NINDS-supported EXAMINER project (Kramer, 2011; www.examiner.ucsf.edu). We administered a diverse set of EF tasks that tap three general domains—cognitive, social/emotional, and insight—to 37 patients with focal lesions to the frontal lobes, and 25 patients with lesions outside the frontal lobes. Using voxel-based lesion-symptom mapping (VLSM), we found that damage to the ventromedial prefrontal cortex (vmPFC) was predominately associated with deficits in social/emotional aspects of EF, while damage to dorsolateral prefrontal cortex (dlPFC) and anterior cingulate was predominately associated with deficits in cognitive aspects of EF. Evidence for an important role of some non-frontal regions (e.g., the temporal poles) in some aspects of EF was also found. The results provide further evidence for the neural basis of EF, and extend previous findings of the dissociation between the roles of the ventromedial and dorsolateral prefrontal sectors in organizing, implementing, and monitoring goal-directed behavior. PMID:23759126

  17. Behavioral and Neural Correlates of Executive Functioning in Musicians and Non-Musicians

    PubMed Central

    Zuk, Jennifer; Benjamin, Christopher; Kenyon, Arnold; Gaab, Nadine

    2014-01-01

    Executive functions (EF) are cognitive capacities that allow for planned, controlled behavior and strongly correlate with academic abilities. Several extracurricular activities have been shown to improve EF, however, the relationship between musical training and EF remains unclear due to methodological limitations in previous studies. To explore this further, two experiments were performed; one with 30 adults with and without musical training and one with 27 musically trained and untrained children (matched for general cognitive abilities and socioeconomic variables) with a standardized EF battery. Furthermore, the neural correlates of EF skills in musically trained and untrained children were investigated using fMRI. Adult musicians compared to non-musicians showed enhanced performance on measures of cognitive flexibility, working memory, and verbal fluency. Musically trained children showed enhanced performance on measures of verbal fluency and processing speed, and significantly greater activation in pre-SMA/SMA and right VLPFC during rule representation and task-switching compared to musically untrained children. Overall, musicians show enhanced performance on several constructs of EF, and musically trained children further show heightened brain activation in traditional EF regions during task-switching. These results support the working hypothesis that musical training may promote the development and maintenance of certain EF skills, which could mediate the previously reported links between musical training and enhanced cognitive skills and academic achievement. PMID:24937544

  18. 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.

  19. Asymmetry of coda cross-correlation function: dependence of the epicentre location

    NASA Astrophysics Data System (ADS)

    Emoto, K.; Campillo, M.; Brenguier, F.; Briand, X.; Takeda, T.

    2015-06-01

    We analyze the cross-correlation function (CCF) of coda of earthquakes, which is used to retrieve the Green's function between two stations as well as the CCF of ambient noise. We select 74 Hi-net stations located in eastern Japan and 66 earthquakes to calculate the CCF. For each earthquake, we calculate the CCFs between possible pairs for the frequency bands of 0.1-0.2 Hz, 0.2-0.4 Hz and 0.4-0.8 Hz. Then we stack the CCFs for different earthquakes at each pair to obtain the average CCF. Although the correlation coefficients between the average and each CCFs are lower than 0.5 for most of the earthquakes, we obtain the propagating Rayleigh wave trace from average CCFs. We focus on the ratio of the amplitude in the positive lag time of the CCF to that in the negative lag time. CCFs for different earthquakes show different ratios which depend on the angle between the path of two stations and the epicentre. The amplitude in the lag time corresponding to the signal travelling from the near source station to the far source station is larger than that in the opposite lag time. Therefore the energy flux is not isotropic even in the coda and the energy from the source side is dominant. We average the ratios of pairs whose absolute values of angles are less than 45°. The average ratios are 0.5 at 0.1-0.2 Hz. For higher frequencies, the ratio is not clear because of the bad signal-to-noise ratio. According to the diffusion model, the ratio is predicted as 0.6. Therefore, the coda is represented as the diffusion state in 0.1-0.2 Hz with our observation setting.

  20. Functional correlates of likelihood and prior representations in a virtual distance task.

    PubMed

    Wiener, Martin; Michaelis, Kelly; Thompson, James C

    2016-09-01

    Spatial navigation is an imperative cognitive function, in which individuals must interact with their environment in order to accurately reach a destination. Previous research has demonstrated that, when traveling a predetermined distance, humans must balance between noise in the measurement process and the prior history of traveled distances. This tradeoff has recently been formally described using Bayesian estimation; however, the neural correlates of Bayesian estimation during distance reproduction have yet to be investigated. Here, human subjects performed a virtual reality distance reproduction task during functional Magnetic Resonance Imaging (fMRI), in which they were required to reproduce various traveled distances in the absence of overt navigational cues. As previously demonstrated, subjects exhibited a central tendency effect, wherein reproduced distances gravitated to the mean of the stimulus set. fMRI activity during this task revealed distance-sensitive activity in a network of regions, including prefrontal and hippocampal regions. Using a computational index of central tendency, we found that activity in the retrosplenial cortex, a region highly implicated in spatial navigation, negatively covaried between subjects with the degree of central tendency observed; conversely, we found that activity in the anterior hippocampus/amygdala complex was positively correlated with the central tendency effect of gravitating to the average reproduced distance. These findings suggest dissociable roles for the retrosplenial cortex and hippocampal complex during distance reproduction, with both regions coordinating with the prefrontal cortex the influence of prior history of the environment with present experience. Hum Brain Mapp 37:3172-3187, 2016. © 2016 Wiley Periodicals, Inc. PMID:27167875