Jastrow-like ground states for quantum many-body potentials with near-neighbors interactions

NASA Astrophysics Data System (ADS)

Baradaran, Marzieh; Carrasco, José A.; Finkel, Federico; González-López, Artemio

2018-01-01

We completely solve the problem of classifying all one-dimensional quantum potentials with nearest- and next-to-nearest-neighbors interactions whose ground state is Jastrow-like, i.e., of Jastrow type but depending only on differences of consecutive particles. In particular, we show that these models must necessarily contain a three-body interaction term, as was the case with all previously known examples. We discuss several particular instances of the general solution, including a new hyperbolic potential and a model with elliptic interactions which reduces to the known rational and trigonometric ones in appropriate limits.

Substitutional impurity in single-layer graphene: The Koster–Slater and Anderson models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davydov, S. Yu., E-mail: sergei-davydov@mail.ru

The Koster–Slater and Anderson models are used to consider substitutional impurities in free-standing single-layer graphene. The density of states of graphene is described using a model (the M model). For the nitrogen and boron impurities, the occupation numbers and the parameter η which defines the fraction of delocalized electrons of the impurity are determined. In this case, experimental data are used for both determination of the model parameters and comparison with the results of theoretical estimations. The general features of the Koster–Slater and Anderson models and the differences between the two models are discussed. Specifically, it is shown that themore » band contributions to the occupation numbers of a nitrogen atom in both models are comparable, whereas the local contributions are substantially different: the local contributions are decisive in the Koster–Slater model and negligible in the Anderson model. The asymptotic behavior of the wave functions of a defect is considered in the Koster–Slater model, and the electron states of impurity dimers are considered in the Anderson model.« less

LETTER TO THE EDITOR: Two-centre exchange integrals for complex exponent Slater orbitals

NASA Astrophysics Data System (ADS)

Kuang, Jiyun; Lin, C. D.

1996-12-01

The one-dimensional integral representation for the Fourier transform of a two-centre product of B functions (finite linear combinations of Slater orbitals) with real parameters is generalized to include B functions with complex parameters. This one-dimensional integral representation allows for an efficient method of calculating two-centre exchange integrals with plane-wave electronic translational factors (ETF) over Slater orbitals of real/complex exponents. This method is a significant improvement on the previous two-dimensional quadrature method of the integrals. A new basis set of the form 0953-4075/29/24/005/img1 is proposed to improve the description of pseudo-continuum states in the close-coupling treatment of ion - atom collisions.

War, sanity, and the Nazi mind: the last passion of Joseph Jastrow.

PubMed

Behrens, Peter J

2009-11-01

The career of Joseph Jastrow (1863-1944) spanned more than 50 years in service to psychology. For 40 years he represented academic psychology at the University of Wisconsin as chair of the psychology department (1886 to 1927), but also was never far from popularizing psychology through books, articles, public lectures, newspaper columns, and finally radio lectures (e.g., Jastrow, 1900, 1935b). Providing a scientific and progressive psychology for the general public was always a strong penchant for Jastrow on several subjects, such as spiritualism (Jastrow, 1911) and effective living (Jastrow, 1935b). About 1939, while he was well into his 70s, his efforts focused on exposing the menace that Adolf Hitler and Nazism posed, so he undertook to enlist prominent editors to publish his work, Hitler: Mask and Myth, as articles or a book. He was not successful in gaining support for the project. His failing can be understood from the perspectives of the American market for Hitler material, the shortcomings of the manuscript, and how he represented psychology to the American public.

A direct method to transform between expansions in the configuration state function and Slater determinant bases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olsen, Jeppe, E-mail: jeppe@chem.au.dk

2014-07-21

A novel algorithm is introduced for the transformation of wave functions between the bases of Slater determinants (SD) and configuration state functions (CSF) in the genealogical coupling scheme. By modifying the expansion coefficients as each electron is spin-coupled, rather than performing a single many-electron transformation, the large transformation matrix that plagues previous approaches is avoided and the required number of operations is drastically reduced. As an example of the efficiency of the algorithm, the transformation for a configuration with 30 unpaired electrons and singlet spin is discussed. For this case, the 10 × 10{sup 6} coefficients in the CSF basismore » is obtained from the 150 × 10{sup 6} coefficients in the SD basis in 1 min, which should be compared with the seven years that the previously employed method is estimated to require.« less

A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo

DOE PAGES

Zhao, Luning; Neuscamman, Eric

2017-05-17

We present a modification to variational Monte Carlo’s linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our recently-introduced variational principle for excited states. For wave function ansatzes with tens of thousands of variables, our modification reduces the required memory per parallel process from tens of gigabytes to hundreds of megabytes, making the methodology a much better fit for modern supercomputer architectures in which data communication and per-process memory consumption are primary concerns. We verify the efficacy of the new optimization scheme in small molecule tests involvingmore » both the Hilbert space Jastrow antisymmetric geminal power ansatz and real space multi-Slater Jastrow expansions. Satisfied with its performance, we have added the optimizer to the QMCPACK software package, with which we demonstrate on a hydrogen ring a prototype approach for making systematically convergent, non-perturbative predictions of Mott-insulators’ optical band gaps.« less

Quantum Monte Carlo calculations of NiO

NASA Astrophysics Data System (ADS)

Maezono, Ryo; Towler, Mike D.; Needs, Richard. J.

2008-03-01

We describe variational and diffusion quantum Monte Carlo (VMC and DMC) calculations [1] of NiO using a 1024-electron simulation cell. We have used a smooth, norm-conserving, Dirac-Fock pseudopotential [2] in our work. Our trial wave functions were of Slater-Jastrow form, containing orbitals generated in Gaussian-basis UHF periodic calculations. Jastrow factor is optimized using variance minimization with optimized cutoff lengths using the same scheme as our previous work. [4] We apply the lattice regulated scheme [5] to evaluate non-local pseudopotentials in DMC and find the scheme improves the smoothness of the energy-volume curve. [1] CASINO ver.2.1 User Manual, University of Cambridge (2007). [2] J.R. Trail et.al., J. Chem. Phys. 122, 014112 (2005). [3] CRYSTAL98 User's Manual, University of Torino (1998). [4] Ryo Maezono et.al., Phys. Rev. Lett., 98, 025701 (2007). [5] Michele Casula, Phys. Rev. B 74, 161102R (2006).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Luning; Neuscamman, Eric

We present a modification to variational Monte Carlo’s linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our recently-introduced variational principle for excited states. For wave function ansatzes with tens of thousands of variables, our modification reduces the required memory per parallel process from tens of gigabytes to hundreds of megabytes, making the methodology a much better fit for modern supercomputer architectures in which data communication and per-process memory consumption are primary concerns. We verify the efficacy of the new optimization scheme in small molecule tests involvingmore » both the Hilbert space Jastrow antisymmetric geminal power ansatz and real space multi-Slater Jastrow expansions. Satisfied with its performance, we have added the optimizer to the QMCPACK software package, with which we demonstrate on a hydrogen ring a prototype approach for making systematically convergent, non-perturbative predictions of Mott-insulators’ optical band gaps.« less

QMCPACK : an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

DOE PAGES

Kim, Jeongnim; Baczewski, Andrew T.; Beaudet, Todd D.; ...

2018-04-19

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wave functions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performancemore » computing architectures, including multicore central processing unit (CPU) and graphical processing unit (GPU) systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://www.qmcpack.org.« less

QMCPACK : an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jeongnim; Baczewski, Andrew T.; Beaudet, Todd D.

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wave functions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performancemore » computing architectures, including multicore central processing unit (CPU) and graphical processing unit (GPU) systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://www.qmcpack.org.« less

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Filippi, Claudia, E-mail: c.filippi@utwente.nl; Assaraf, Roland, E-mail: assaraf@lct.jussieu.fr; Moroni, Saverio, E-mail: moroni@democritos.it

2016-05-21

We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and similar quantities needed in quantum Monte Carlo. Through a straightforward manipulation of matrices evaluated on the occupied and virtual orbitals, we obtain an efficiency equivalent to algorithmic differentiation in the computation of the interatomic forces and the optimization of the orbital parameters. Furthermore, for a large multi-determinant expansion, the significant computational gain afforded by a recently introduced table method is here extended to the local value of any one-body operator and to its derivatives, inmore » both all-electron and pseudopotential calculations.« less

Constrained variation in Jastrow method at high density

DOE Office of Scientific and Technical Information (OSTI.GOV)

Owen, J.C.; Bishop, R.F.; Irvine, J.M.

1976-11-01

A method is derived for constraining the correlation function in a Jastrow variational calculation which permits the truncation of the cluster expansion after two-body terms, and which permits exact minimization of the two-body cluster by functional variation. This method is compared with one previously proposed by Pandharipande and is found to be superior both theoretically and practically. The method is tested both on liquid /sup 3/He, by using the Lennard--Jones potential, and on the model system of neutrons treated as Boltzmann particles (''homework'' problem). Good agreement is found both with experiment and with other calculations involving the explicit evaluation ofmore » higher-order terms in the cluster expansion. The method is then applied to a more realistic model of a neutron gas up to a density of 4 neutrons per F/sup 3/, and is found to give ground-state energies considerably lower than those of Pandharipande. (AIP)« less

Introduction to Density Functional Theory: Calculations by Hand on the Helium Atom

ERIC Educational Resources Information Center

Baseden, Kyle A.; Tye, Jesse W.

2014-01-01

Density functional theory (DFT) is a type of electronic structure calculation that has rapidly gained popularity. In this article, we provide a step-by-step demonstration of a DFT calculation by hand on the helium atom using Slater's X-Alpha exchange functional on a single Gaussian-type orbital to represent the atomic wave function. This DFT…

Joseph Jastrow, the psychology of deception, and the racial economy of observation.

PubMed

Pettit, Michael

2007-01-01

This article reconstructs the recurring themes in the career of Joseph Jastrow, both inside and outside the laboratory. His psychology of deception provides the bridge between his experimental and popular pursuits. Furthermore, Jastrow's career illustrates the complex ways in which scientific psychology and pragmatist philosophy operated within the constraints of a moral economy deeply marked by notions of "race." Psychological investigations of deception were grafted onto two of the human sciences' leading tools: the evolutionary narrative and the statistical analysis of populations. Such associations abetted the racialization of the acts of deceiving and being deceived. These connections also were used to craft moral lessons about how individuals ought to behave in relationship to the aggregate population and natural selection's endowment.

Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules.

PubMed

Sugisaki, Kenji; Yamamoto, Satoru; Nakazawa, Shigeaki; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji

2016-08-18

Quantum computers are capable to efficiently perform full configuration interaction (FCI) calculations of atoms and molecules by using the quantum phase estimation (QPE) algorithm. Because the success probability of the QPE depends on the overlap between approximate and exact wave functions, efficient methods to prepare accurate initial guess wave functions enough to have sufficiently large overlap with the exact ones are highly desired. Here, we propose a quantum algorithm to construct the wave function consisting of one configuration state function, which is suitable for the initial guess wave function in QPE-based FCI calculations of open-shell molecules, based on the addition theorem of angular momentum. The proposed quantum algorithm enables us to prepare the wave function consisting of an exponential number of Slater determinants only by a polynomial number of quantum operations.

Rosenhan revisited: the scientific credibility of Lauren Slater's pseudopatient diagnosis study.

PubMed

Spitzer, Robert L; Lilienfeld, Scott O; Miller, Michael B

2005-11-01

In a recent and widely publicized book, psychologist Lauren Slater reported an attempt to test David Rosenhan's hypothesis that psychiatric diagnoses are influenced primarily by situational context rather than by patients' signs and symptoms. Slater presented herself to nine psychiatric emergency rooms with the lone complaint of an isolated auditory hallucination (hearing the word "thud"). In almost all cases, she reported receiving the diagnosis of psychotic depression and prescriptions for antidepressants and antipsychotics. Slater concluded that psychiatric diagnoses are largely arbitrary and driven by a "zeal to prescribe." Our goal was to examine the scientific credibility of Slater's findings using a vignette methodology. We presented a sample of emergency room psychiatrists (N = 74) with a detailed case vignette derived from the clinical description in Slater's book, and asked them a series of questions regarding diagnosis and treatment recommendations. In sharp contrast to what Slater reported, we found that only three psychiatrists offered a diagnosis of psychotic depression. Moreover, only one third recommended medication. Our study raises questions regarding Slater's results and conclusions, and provides scant support for the claim that psychiatric diagnoses are mostly products of fashion or fad, as claimed by Slater.

Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sorella, S., E-mail: sorella@sissa.it; Devaux, N.; Dagrada, M., E-mail: mario.dagrada@impmc.upmc.fr

2015-12-28

We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wavemore » function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.« less

On the Least-Squares Fitting of Slater-Type Orbitals with Gaussians: Reproduction of the STO-NG Fits Using Microsoft Excel and Maple

ERIC Educational Resources Information Center

Pye, Cory C.; Mercer, Colin J.

2012-01-01

The symbolic algebra program Maple and the spreadsheet Microsoft Excel were used in an attempt to reproduce the Gaussian fits to a Slater-type orbital, required to construct the popular STO-NG basis sets. The successes and pitfalls encountered in such an approach are chronicled. (Contains 1 table and 3 figures.)

Calculation of the total electron excitation cross section in the Born approximation using Slater wave functions for the Li (2s yields 2p), Li (2s yields 3p), Na (3s yields 4p), Mg (3p yields 4s), Ca (4s yields 4p) and K (4s yields 4p) excitations. M.S. Thesis

NASA Technical Reports Server (NTRS)

Simsic, P. L.

1974-01-01

Excitation of neutral atoms by inelastic scattering of incident electrons in gaseous nebulae were investigated using Slater Wave functions to describe the initial and final states of the atom. Total cross sections using the Born Approximation are calculated for: Li(2s yields 2p), Na(3s yields 4p), k(4s yields 4p). The intensity of emitted radiation from gaseous nebulae is also calculated, and Maxwell distribution is employed to average the kinetic energy of electrons.

Construction of CASCI-type wave functions for very large active spaces.

PubMed

Boguslawski, Katharina; Marti, Konrad H; Reiher, Markus

2011-06-14

We present a procedure to construct a configuration-interaction expansion containing arbitrary excitations from an underlying full-configuration-interaction-type wave function defined for a very large active space. Our procedure is based on the density-matrix renormalization group (DMRG) algorithm that provides the necessary information in terms of the eigenstates of the reduced density matrices to calculate the coefficient of any basis state in the many-particle Hilbert space. Since the dimension of the Hilbert space scales binomially with the size of the active space, a sophisticated Monte Carlo sampling routine is employed. This sampling algorithm can also construct such configuration-interaction-type wave functions from any other type of tensor network states. The configuration-interaction information obtained serves several purposes. It yields a qualitatively correct description of the molecule's electronic structure, it allows us to analyze DMRG wave functions converged for the same molecular system but with different parameter sets (e.g., different numbers of active-system (block) states), and it can be considered a balanced reference for the application of a subsequent standard multi-reference configuration-interaction method.

Performance assessment of density functional methods with Gaussian and Slater basis sets using 7σ orbital momentum distributions of N2O

NASA Astrophysics Data System (ADS)

Wang, Feng; Pang, Wenning; Duffy, Patrick

2012-12-01

Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the

9Be scattering with microscopic wave functions and the continuum-discretized coupled-channel method

NASA Astrophysics Data System (ADS)

Descouvemont, P.; Itagaki, N.

2018-01-01

We use microscopic 9Be wave functions defined in a α +α +n multicluster model to compute 9Be+target scattering cross sections. The parameter sets describing 9Be are generated in the spirit of the stochastic variational method, and the optimal solution is obtained by superposing Slater determinants and by diagonalizing the Hamiltonian. The 9Be three-body continuum is approximated by square-integral wave functions. The 9Be microscopic wave functions are then used in a continuum-discretized coupled-channel (CDCC) calculation of 9Be+208Pb and of 9Be+27Al elastic scattering. Without any parameter fitting, we obtain a fair agreement with experiment. For a heavy target, the influence of 9Be breakup is important, while it is weaker for light targets. This result confirms previous nonmicroscopic CDCC calculations. One of the main advantages of the microscopic CDCC is that it is based on nucleon-target interactions only; there is no adjustable parameter. The present work represents a first step towards more ambitious calculations involving heavier Be isotopes.

Calculation of multicenter electric field gradient integrals over Slater-type orbitals using unsymmetrical one-range addition theorems.

PubMed

Guseinov, Israfil I; Görgün, Nurşen Seçkin

2011-06-01

The electric field induced within a molecule by its electrons determines a whole series of important physical properties of the molecule. In particular, the values of the gradient of this field at the nuclei determine the interaction of their quadrupole moments with the electrons. Using unsymmetrical one-range addition theorems introduced by one of the authors, the sets of series expansion relations for multicenter electric field gradient integrals over Slater-type orbitals in terms of multicenter charge density expansion coefficients and two-center basic integrals are presented. The convergence of the series is tested by calculating concrete cases for different values of quantum numbers, parameters and locations of orbitals.

Slater-Pauling behavior within quaternary intermetallic borides of the Ti{sub 3}Co{sub 5}B{sub 2} structure-type

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burghaus, Jens; Dronskowski, Richard, E-mail: drons@HAL9000.ac.rwth-aachen.d; Miller, Gordon J.

2009-10-15

First-principles, density-functional studies of several intermetallic borides of the general type M{sub 2}M'Ru{sub 5-n}Rh{sub n}B{sub 2} (n=0-5; M=Sc, Ti, Nb; M'=Fe, Co) show that the variation in saturation magnetic moment with valence-electron count follows a Slater-Pauling curve, with a maximum moment occurring typically at 66 valence electrons. The magnetic moments in these compounds occur primarily from the 3d electrons of the magnetically active M' sites, with some contribution from the Ru/Rh sites via magnetic polarization. Electronic DOS curves reveal that a rigid-band approach is a reasonable approximation for the estimation of saturation moments and the analysis of orbital interactions inmore » this family of complex borides. COHP analyses of the M'-M' orbital interactions indicate optimized interactions in the minority spin states for Co-containing phases, but strong bonding interactions remaining in Fe-containing phases. - Graphical abstract: Theoretically determined (spin-polarized LMTO-GGA) local magnetic moments as a function of the chemical valence Z for various intermetallic borides.« less

Effect of short-range correlations on the single proton 3s1/2 wave function in 206Pb

NASA Astrophysics Data System (ADS)

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

2018-02-01

We consider the experimental data for difference, Δρc (r), between the charge density distributions of the isotones 206Pb - 205Tl, deduced by analysis of elastic electron scattering measurements and corresponds to the shell model 3s1/2 proton orbit. We investigate the effects of two-body short-range correlations. This is done by: (a) Determining the corresponding single particle potential (mean-field), employing a novel method, directly from the single particle proton density and its first and second derivatives. We also carried out least-square fits to parametrized single particle potentials; (b) Determining the short-range correlations effect by employing the Jastrow correlated many-body wave function to derive a correlation factor for the single particle density distribution. The 3s 1/2 wave functions of the determined potentials reproduce fairly well the experimental data within the quoted errors. The calculated charge density difference, Δρc (r), obtained with the inclusion of the short-range correlation effect does not reproduce the experimental data.

Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo

DOE PAGES

Blunt, Nick S.; Neuscamman, Eric

2017-11-16

We present a simple and efficient wave function ansatz for the treatment of excited charge-transfer states in real-space quantum Monte Carlo methods. Using the recently-introduced variation-after-response method, this ansatz allows a crucial orbital optimization step to be performed beyond a configuration interaction singles expansion, while only requiring calculation of two Slater determinant objects. As a result, we demonstrate this ansatz for the illustrative example of the stretched LiF molecule, for a range of excited states of formaldehyde, and finally for the more challenging ethylene-tetrafluoroethylene molecule.

Transition probability functions for applications of inelastic electron scattering

PubMed Central

Löffler, Stefan; Schattschneider, Peter

2012-01-01

In this work, the transition matrix elements for inelastic electron scattering are investigated which are the central quantity for interpreting experiments. The angular part is given by spherical harmonics. For the weighted radial wave function overlap, analytic expressions are derived in the Slater-type and the hydrogen-like orbital models. These expressions are shown to be composed of a finite sum of polynomials and elementary trigonometric functions. Hence, they are easy to use, require little computation time, and are significantly more accurate than commonly used approximations. PMID:22560709

78 FR 19299 - Notice of Inventory Completion: Slater Museum of Natural History, University of Puget Sound...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-29

... made by the Slater Museum of Natural History and Burke Museum professional staff in consultation with....R50000] Notice of Inventory Completion: Slater Museum of Natural History, University of Puget Sound, Tacoma, WA AGENCY: National Park Service, Interior. ACTION: Notice. SUMMARY: The Slater Museum of Natural...

Theory of inhomogeneous quantum systems. III. Variational wave functions for Fermi fluids

NASA Astrophysics Data System (ADS)

Krotscheck, E.

1985-04-01

We develop a general variational theory for inhomogeneous Fermi systems such as the electron gas in a metal surface, the surface of liquid 3He, or simple models of heavy nuclei. The ground-state wave function is expressed in terms of two-body correlations, a one-body attenuation factor, and a model-system Slater determinant. Massive partial summations of cluster expansions are performed by means of Born-Green-Yvon and hypernetted-chain techniques. An optimal single-particle basis is generated by a generalized Hartree-Fock equation in which the two-body correlations screen the bare interparticle interaction. The optimization of the pair correlations leads to a state-averaged random-phase-approximation equation and a strictly microscopic determination of the particle-hole interaction.

The Wundt-Jastrow illusion in the study of spatial hemi-inattention.

PubMed

Massironi, M; Antonucci, G; Pizzamiglio, L; Vitale, M V; Zoccolotti, P

1988-01-01

A new test to detect unilateral neglect was devised using a modified version of the Wundt-Jastrow area illusion. The test was given to three groups of subjects: left brain damaged (LBD), right brain damaged (RBD) patients and controls. Of RBD patients, 40.4% but no LBD patient or control, showed responses inconsistent with the visual illusion when the determinant features of the illusion pointed to the left visual field. These unexpected responses were highly related to a clinical evaluation of the severity of the hemi-inattention disorder. The sensitivity of this test and of other standard measures of hemi-neglect were compared. The possibility of identifying qualitatively different forms of hemi-neglect was also discussed.

Fixed-Node Diffusion Quantum Monte Carlo Method on Dissociation Energies and Their Trends for R-X Bonds (R = Me, Et, i-Pr, t-Bu).

PubMed

Hou, Aiqiang; Zhou, Xiaojun; Wang, Ting; Wang, Fan

2018-05-15

Achieving both bond dissociation energies (BDEs) and their trends for the R-X bonds with R = Me, Et, i-Pr, and t-Bu reliably is nontrivial. Density functional theory (DFT) methods with traditional exchange-correlation functionals usually have large error on both the BDEs and their trends. The M06-2X functional gives rise to reliable BDEs, but the relative BDEs are determined not as accurately. More demanding approaches such as some double-hybrid functionals, for example, G4 and CCSD(T), are generally required to achieve the BDEs and their trends reliably. The fixed-node diffusion quantum Monte Carlo method (FN-DMC) is employed to calculated BDEs of these R-X bonds with X = H, CH 3 , OCH 3 , OH, and F in this work. The single Slater-Jastrow wave function is adopted as trial wave function, and pseudopotentials (PPs) developed for quantum Monte Carlo calculations are chosen. Error of these PPs is modest in wave function methods, while it is more pronounced in DFT calculations. Our results show that accuracy of BDEs with FN-DMC is similar to that of M06-2X and G4, and trends in BDEs are calculated more reliably than M06-2X. Both BDEs and trends in BDEs of these bonds are reproduced reasonably with FN-DMC. FN-DMC using PPs can thus be applied to BDEs and their trends of similar chemical bonds in larger molecules reliably and provide valuable information on properties of these molecules.

Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements.

PubMed

Höfener, Sebastian; Bischoff, Florian A; Glöss, Andreas; Klopper, Wim

2008-06-21

In the recent years, Slater-type geminals (STGs) have been used with great success to expand the first-order wave function in an explicitly-correlated perturbation theory. The present work reports on this theory's implementation in the framework of the Turbomole suite of programs. A formalism is presented for evaluating all of the necessary molecular two-electron integrals by means of the Obara-Saika recurrence relations, which can be applied when the STG is expressed as a linear combination of a small number (n) of Gaussians (STG-nG geminal basis). In the Turbomole implementation of the theory, density fitting is employed and a complementary auxiliary basis set (CABS) is used for the resolution-of-the-identity (RI) approximation of explicitly-correlated theory. By virtue of this RI approximation, the calculation of molecular three- and four-electron integrals is avoided. An approximation is invoked to avoid the two-electron integrals over the commutator between the operators of kinetic energy and the STG. This approximation consists of computing commutators between matrices in place of operators. Integrals over commutators between operators would have occurred if the theory had been formulated and implemented as proposed originally. The new implementation in Turbomole was tested by performing a series of calculations on rotational conformers of the alkanols n-propanol through n-pentanol. Basis-set requirements concerning the orbital basis, the auxiliary basis set for density fitting and the CABS were investigated. Furthermore, various (constrained) optimizations of the amplitudes of the explicitly-correlated double excitations were studied. These amplitudes can be optimized in orbital-variant and orbital-invariant manners, or they can be kept fixed at the values governed by the rational generator approach, that is, by the electron cusp conditions. Electron-correlation effects beyond the level of second-order perturbation theory were accounted for by conventional

Construction of exchange repulsion in terms of the wave functions at QM/MM boundary region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Umino, Satoru; Morita, Akihiro

2015-08-28

We developed a simple method to calculate exchange repulsion between a quantum mechanical (QM) solute and a molecular mechanical (MM) molecule in the QM/MM approach. In our method, the size parameter in the Buckingham type potential for the QM solute is directly determined in terms of the one-electron wave functions of the solute. The point of the method lies in the introduction of the exchange core function (ECF) defined as a Slater function which mimics the behavior of the exterior electron density at the QM/MM boundary region. In the present paper, the ECF was constructed in terms of the Becke-Rousselmore » (BR) exchange hole function. It was demonstrated that the ECF yielded by the BR procedure can faithfully reproduce the radial behavior of the electron density of a QM solute. The size parameter of the solute as well as the exchange repulsion are, then, obtained using the overlap model without any fitting procedure. To examine the efficiency of the method, it was applied to calculation of the exchange repulsions for minimal QM/MM systems, hydrogen-bonded water dimer, and H{sub 3}O{sup +}–H{sub 2}O. We found that our approach is able to reproduce the potential energy curves for these systems showing reasonable agreements with those given by accurate full quantum chemical calculations.« less

Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

PubMed Central

Zen, Andrea; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo

2014-01-01

Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their efficient parallelization, particularly suited for the modern high performance computing facilities. The ansatz of the wave function and its variational flexibility are crucial points for both the accurate description of molecular properties and the capabilities of the method to tackle large systems. In this paper, we extensively analyze, using different variational ansatzes, several properties of the water molecule, namely, the total energy, the dipole and quadrupole momenta, the ionization and atomization energies, the equilibrium configuration, and the harmonic and fundamental frequencies of vibration. The investigation mainly focuses on variational Monte Carlo calculations, although several lattice regularized diffusion Monte Carlo calculations are also reported. Through a systematic study, we provide a useful guide to the choice of the wave function, the pseudopotential, and the basis set for QMC calculations. We also introduce a new method for the computation of forces with finite variance on open systems and a new strategy for the definition of the atomic orbitals involved in the Jastrow-Antisymmetrised Geminal power wave function, in order to drastically reduce the number of variational parameters. This scheme significantly improves the efficiency of QMC energy minimization in case of large basis sets. PMID:24526929

76 FR 43710 - Notice of Inventory Completion: Slater Museum of Natural History, University of Puget Sound...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-21

... Museum of Natural History, University of Puget Sound, Tacoma, WA AGENCY: National Park Service, Interior. ACTION: Notice. SUMMARY: The Slater Museum of Natural History, University of Puget Sound has completed an... contact the Slater Museum of Natural History, University of Puget Sound. Disposition of the human remains...

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

NASA Technical Reports Server (NTRS)

Huang, K.-N.; Aoyagi, M.; Mark, H.; Chen, M. H.; Crasemann, B.

1976-01-01

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

Itinerant ferromagnetism in ultracold Fermi gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heiselberg, H.

2011-05-15

Itinerant ferromagnetism in cold Fermi gases with repulsive interactions is studied applying the Jastrow-Slater approximation generalized to finite polarization and temperature. For two components at zero temperature, a second-order transition is found at ak{sub F}{approx_equal}0.90 compatible with results of quantum-Monte-Carlo (QMC) calculations. Thermodynamic functions and observables, such as the compressibility and spin susceptibility and the resulting fluctuations in number and spin, are calculated. For trapped gases, the resulting cloud radii and kinetic energies are calculated and compared to recent experiments. Spin-polarized systems are recommended for effective separation of large ferromagnetic domains. Collective modes are predicted and tricritical points are calculatedmore » for multicomponent systems.« less

Establishing non-Abelian topological order in Gutzwiller-projected Chern insulators via entanglement entropy and modular S-matrix

NASA Astrophysics Data System (ADS)

Zhang, Yi; Vishwanath, Ashvin

2013-04-01

We use entanglement entropy signatures to establish non-Abelian topological order in projected Chern-insulator wave functions. The simplest instance is obtained by Gutzwiller projecting a filled band with Chern number C=2, whose wave function may also be viewed as the square of the Slater determinant of a band insulator. We demonstrate that this wave function is captured by the SU(2)2 Chern-Simons theory coupled to fermions. This is established most persuasively by calculating the modular S-matrix from the candidate ground-state wave functions, following a recent entanglement-entropy-based approach. This directly demonstrates the peculiar non-Abelian braiding statistics of Majorana fermion quasiparticles in this state. We also provide microscopic evidence for the field theoretic generalization, that the Nth power of a Chern number C Slater determinant realizes the topological order of the SU(N)C Chern-Simons theory coupled to fermions, by studying the SU(2)3 (Read-Rezayi-type state) and the SU(3)2 wave functions. An advantage of our projected Chern-insulator wave functions is the relative ease with which physical properties, such as entanglement entropy and modular S-matrix, can be numerically calculated using Monte Carlo techniques.

Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function.

PubMed

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

2015-09-08

We perform a direct variational determination of the second-order (two-particle) density matrix corresponding to a many-electron system, under a restricted set of the two-index N-representability P-, Q-, and G-conditions. In addition, we impose a set of necessary constraints that the two-particle density matrix must be derivable from a doubly occupied many-electron wave function, i.e., a singlet wave function for which the Slater determinant decomposition only contains determinants in which spatial orbitals are doubly occupied. We rederive the two-index N-representability conditions first found by Weinhold and Wilson and apply them to various benchmark systems (linear hydrogen chains, He, N2, and CN(-)). This work is motivated by the fact that a doubly occupied many-electron wave function captures in many cases the bulk of the static correlation. Compared to the general case, the structure of doubly occupied two-particle density matrices causes the associate semidefinite program to have a very favorable scaling as L(3), where L is the number of spatial orbitals. Since the doubly occupied Hilbert space depends on the choice of the orbitals, variational calculation steps of the two-particle density matrix are interspersed with orbital-optimization steps (based on Jacobi rotations in the space of the spatial orbitals). We also point to the importance of symmetry breaking of the orbitals when performing calculations in a doubly occupied framework.

Wave-function functionals

NASA Astrophysics Data System (ADS)

Pan, Xiao-Yin; Slamet, Marlina; Sahni, Viraht

2010-04-01

We extend our prior work on the construction of variational wave functions ψ that are functionals of functions χ:ψ=ψ[χ] rather than simply being functions. In this manner, the space of variations is expanded over those of traditional variational wave functions. In this article we perform the constrained search over the functions χ chosen such that the functional ψ[χ] satisfies simultaneously the constraints of normalization and the exact expectation value of an arbitrary single- or two-particle Hermitian operator, while also leading to a rigorous upper bound to the energy. As such the wave function functional is accurate not only in the region of space in which the principal contributions to the energy arise but also in the other region of the space represented by the Hermitian operator. To demonstrate the efficacy of these ideas, we apply such a constrained search to the ground state of the negative ion of atomic hydrogen H-, the helium atom He, and its positive ions Li+ and Be2+. The operators W whose expectations are obtained exactly are the sum of the single-particle operators W=∑irin,n=-2,-1,1,2, W=∑iδ(ri), W=-(1)/(2)∑i∇i2, and the two-particle operators W=∑nun,n=-2,-1,1,2, where u=|ri-rj|. Comparisons with the method of Lagrangian multipliers and of other constructions of wave-function functionals are made. Finally, we present further insights into the construction of wave-function functionals by studying a previously proposed construction of functionals ψ[χ] that lead to the exact expectation of arbitrary Hermitian operators. We discover that analogous to the solutions of the Schrödinger equation, there exist ψ[χ] that are unphysical in that they lead to singular values for the expectations. We also explain the origin of the singularity.

Non-perturbational surface-wave inversion: A Dix-type relation for surface waves

USGS Publications Warehouse

Haney, Matt; Tsai, Victor C.

2015-01-01

We extend the approach underlying the well-known Dix equation in reflection seismology to surface waves. Within the context of surface wave inversion, the Dix-type relation we derive for surface waves allows accurate depth profiles of shear-wave velocity to be constructed directly from phase velocity data, in contrast to perturbational methods. The depth profiles can subsequently be used as an initial model for nonlinear inversion. We provide examples of the Dix-type relation for under-parameterized and over-parameterized cases. In the under-parameterized case, we use the theory to estimate crustal thickness, crustal shear-wave velocity, and mantle shear-wave velocity across the Western U.S. from phase velocity maps measured at 8-, 20-, and 40-s periods. By adopting a thin-layer formalism and an over-parameterized model, we show how a regularized inversion based on the Dix-type relation yields smooth depth profiles of shear-wave velocity. In the process, we quantitatively demonstrate the depth sensitivity of surface-wave phase velocity as a function of frequency and the accuracy of the Dix-type relation. We apply the over-parameterized approach to a near-surface data set within the frequency band from 5 to 40 Hz and find overall agreement between the inverted model and the result of full nonlinear inversion.

Viscoelastic love-type surface waves

USGS Publications Warehouse

Borcherdt, Roger D.

2008-01-01

The general theoretical solution for Love-Type surface waves in viscoelastic media provides theoreticalexpressions for the physical characteristics of the waves in elastic as well as anelastic media with arbitraryamounts of intrinsic damping. The general solution yields dispersion and absorption-coefficient curves for the waves as a function of frequency and theamount of intrinsic damping for any chosen viscoelastic model.Numerical results valid for a variety of viscoelastic models provide quantitative estimates of the physicalcharacteristics of the waves pertinent to models of Earth materials ranging from small amounts of damping in the Earth’s crust to moderate and large amounts of damping in soft soils and water-saturated sediments. Numerical results, presented herein, are valid for a wide range of solids and applications.

Effect of wave function on the proton induced L XRP cross sections for 62Sm and 74W

NASA Astrophysics Data System (ADS)

Shehla, Kaur, Rajnish; Kumar, Anil; Puri, Sanjiv

2015-08-01

The Lk(k= 1, α, β, γ) X-ray production cross sections have been calculated for 74W and 62Sm at different incident proton energies ranging 1-5 MeV using theoretical data sets of different physical parameters, namely, the Li(i=1-3) sub-shell X-ray emission rates based on the Dirac-Fork (DF) model, the fluorescence and Coster Kronig yields based on the Dirac- Hartree-Slater (DHS) model and two sets the proton ionization cross sections based on the DHS model and the ECPSSR in order to assess the influence of the wave function on the XRP cross sections. The calculated cross sections have been compared with the measured cross sections reported in the recent compilation to check the reliability of the calculated values.

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

PubMed

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

Accurate donor electron wave functions from a multivalley effective mass theory.

NASA Astrophysics Data System (ADS)

Pendo, Luke; Hu, Xuedong

Multivalley effective mass (MEM) theories combine physical intuition with a marginal need for computational resources, but they tend to be insensitive to variations in the wavefunction. However, recent papers suggest full Bloch functions and suitable central cell donor potential corrections are essential to replicating qualitative and quantitative features of the wavefunction. In this talk, we consider a variational MEM method that can accurately predict both spectrum and wavefunction of isolated phosphorus donors. As per Gamble et. al, we employ a truncated series representation of the Bloch function with a tetrahedrally symmetric central cell correction. We use a dynamic dielectric constant, a feature commonly seen in tight-binding methods. Uniquely, we use a freely extensible basis of either all Slater- or all Gaussian-type functions. With a large basis able to capture the influence of higher energy eigenstates, this method is well positioned to consider the influence of external perturbations, such as electric field or applied strain, on the charge density. This work is supported by the US Army Research Office (W911NF1210609).

GENERAL P, TYPE-I S, AND TYPE-II S WAVES IN ANELASTIC SOLIDS; INHOMOGENEOUS WAVE FIELDS IN LOW-LOSS SOLIDS.

USGS Publications Warehouse

Borcherdt, Roger D.; Wennerberg, Leif

1985-01-01

The physical characteristics for general plane-wave radiation fields in an arbitrary linear viscoelastic solid are derived. Expressions for the characteristics of inhomogeneous wave fields, derived in terms of those for homogeneous fields, are utilized to specify the characteristics and a set of reference curves for general P and S wave fields in arbitrary viscoelastic solids as a function of wave inhomogeneity and intrinsic material absorption. The expressions show that an increase in inhomogeneity of the wave fields cause the velocity to decrease, the fractional-energy loss (Q** minus **1) to increase, the deviation of maximum energy flow with respect to phase propagation to increase, and the elliptical particle motions for P and type-I S waves to approach circularity. Q** minus **1 for inhomogeneous type-I S waves is shown to be greater than that for type-II S waves, with the deviation first increasing then decreasing with inhomogeneity. The mean energy densities (kinetic, potential, and total), the mean rate of energy dissipation, the mean energy flux, and Q** minus **1 for inhomogeneous waves are shown to be greater than corresponding characteristics for homogeneous waves, with the deviations increasing as the inhomogeneity is increased for waves of fixed maximum displacement amplitude.

On the v-representabilty problem in density functional theory: Application to non-interacting systems

DOE PAGES

Dane, Markus; Gonis, Antonios

2016-07-05

Based on a computational procedure for determining the functional derivative with respect to the density of any antisymmetric N-particle wave function for a non-interacting system that leads to the density, we devise a test as to whether or not a wave function known to lead to a given density corresponds to a solution of a Schrödinger equation for some potential. We examine explicitly the case of non-interacting systems described by Slater determinants. Here, numerical examples for the cases of a one-dimensional square-well potential with infinite walls and the harmonic oscillator potential illustrate the formalism.

Hyperspherical Slater determinant approach to few-body fractional quantum Hall states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Bin, E-mail: yanbin@purdue.edu; Wooten, Rachel E.; Daily, Kevin M.

2017-05-15

In a recent study (Daily et al., 2015), a hyperspherical approach has been developed to study few-body fractional quantum Hall states. This method has been successfully applied to the exploration of few boson and fermion problems in the quantum Hall region, as well as the study of inter-Landau level collective excitations (Rittenhouse et al., 2016; Wooten et al., 2016). However, the hyperspherical method as it is normally implemented requires a subsidiary (anti-)symmetrization process, which limits its computational effectiveness. The present work overcomes these difficulties and extends the power of this method by implementing a representation of the hyperspherical many-body basismore » space in terms of Slater determinants of single particle eigenfunctions. A clear connection between the hyperspherical representation and the conventional single particle picture is presented, along with a compact operator representation of the theoretical framework. - Highlights: • A hyperspherical method has been implemented to study the quantum Hall effect. • The hyperspherical many-body basis space is represented with Slater determinants. • Example numerical studies of the 4- and 8-electron systems are presented.« less

Low Intensity Extracorporeal Shock Wave Therapy Improves Erectile Function in a Model of Type II Diabetes Independently of NO/cGMP Pathway.

PubMed

Assaly-Kaddoum, Rana; Giuliano, François; Laurin, Miguel; Gorny, Diane; Kergoat, Micheline; Bernabé, Jacques; Vardi, Yoram; Alexandre, Laurent; Behr-Roussel, Delphine

2016-09-01

Erectile dysfunction is highly prevalent in type II diabetes mellitus. Low intensity extracorporeal shock wave therapy improves erectile function in patients with erectile dysfunction of vasculogenic origin, including diabetes. However, its mode of action remains unknown. We investigated the effects of low intensity extracorporeal shock wave therapy compared to or combined with sildenafil on erectile dysfunction in a type II diabetes mellitus model. Our purpose was to test our hypothesis of a mode of action targeting the cavernous nitric oxide/cyclic guanosine monophosphate pathway. GK rats, a validated model of type II diabetes mellitus, and age matched Wistar rats were treated with low intensity extracorporeal shock wave therapy twice weekly for 3 weeks. Treatment was repeated after a 3-week no-treatment interval. The penis was stretched and dipped in a specifically designed water-filled cage. Shock waves were delivered by a calibrated probe yielding a controlled energy flux density (0.09 mJ/mm(2)). The probe was attached to an electrohydraulic unit with a focused shock wave source, allowing for accurate extrapolation to humans. Following a 4-week washout period erectile function was assessed as well as endothelium dependent and independent, and nitrergic relaxations of the corpus cavernosum of GK rats. Low intensity extracorporeal shock wave therapy significantly improved erectile function in GK rats to the same extent as sildenafil. Treatment effects were potentiated when combined with sildenafil. Shock wave effects were not associated with improved cavernous endothelium dependent or independent, or nitrergic reactivity. Low intensity extracorporeal shock wave therapy improved erectile function in GK rats. Unexpectedly, this was not mediated by a nitric oxide/cyclic guanosine monophosphate dependent mechanism. Sildenafil increased shock wave efficacy. This preclinical paradigm to deliver low intensity extracorporeal shock wave therapy to the rat penis should

Love-type waves in functionally graded piezoelectric material (FGPM) sandwiched between initially stressed layer and elastic substrate

NASA Astrophysics Data System (ADS)

Saroj, Pradeep K.; Sahu, S. A.; Chaudhary, S.; Chattopadhyay, A.

2015-10-01

This paper investigates the propagation behavior of Love-type surface waves in three-layered composite structure with initial stress. The composite structure has been taken in such a way that a functionally graded piezoelectric material (FGPM) layer is bonded between initially stressed piezoelectric upper layer and an elastic substrate. Using the method of separation of variables, frequency equation for the considered wave has been established in the form of determinant for electrical open and short cases on free surface. The bisection method iteration technique has been used to find the roots of the dispersion relations which give the modes for electrical open and short cases. The effects of gradient variation of material constant and initial stress on the phase velocity of surface waves are discussed. Dependence of thickness on each parameter of the study has been shown explicitly. Study has been also done to show the existence of cut-off frequency. Graphical representation has been done to exhibit the findings. The obtained results are significant for the investigation and characterization of Love-type waves in FGPM-layered media.

A (2+1)-dimensional Korteweg-de Vries type equation in water waves: Lie symmetry analysis; multiple exp-function method; conservation laws

NASA Astrophysics Data System (ADS)

Adem, Abdullahi Rashid

2016-05-01

We consider a (2+1)-dimensional Korteweg-de Vries type equation which models the shallow-water waves, surface and internal waves. In the analysis, we use the Lie symmetry method and the multiple exp-function method. Furthermore, conservation laws are computed using the multiplier method.

Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program.

PubMed

Schlüns, Danny; Franchini, Mirko; Götz, Andreas W; Neugebauer, Johannes; Jacob, Christoph R; Visscher, Lucas

2017-02-05

We present a new implementation of analytical gradients for subsystem density-functional theory (sDFT) and frozen-density embedding (FDE) into the Amsterdam Density Functional program (ADF). The underlying theory and necessary expressions for the implementation are derived and discussed in detail for various FDE and sDFT setups. The parallel implementation is numerically verified and geometry optimizations with different functional combinations (LDA/TF and PW91/PW91K) are conducted and compared to reference data. Our results confirm that sDFT-LDA/TF yields good equilibrium distances for the systems studied here (mean absolute deviation: 0.09 Å) compared to reference wave-function theory results. However, sDFT-PW91/PW91k quite consistently yields smaller equilibrium distances (mean absolute deviation: 0.23 Å). The flexibility of our new implementation is demonstrated for an HCN-trimer test system, for which several different setups are applied. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

PubMed

Kim, Jeongnim; Baczewski, Andrew T; Beaudet, Todd D; Benali, Anouar; Bennett, M Chandler; Berrill, Mark A; Blunt, Nick S; Borda, Edgar Josué Landinez; Casula, Michele; Ceperley, David M; Chiesa, Simone; Clark, Bryan K; Clay, Raymond C; Delaney, Kris T; Dewing, Mark; Esler, Kenneth P; Hao, Hongxia; Heinonen, Olle; Kent, Paul R C; Krogel, Jaron T; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M Graham; Luo, Ye; Malone, Fionn D; Martin, Richard M; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A; Mitas, Lubos; Morales, Miguel A; Neuscamman, Eric; Parker, William D; Pineda Flores, Sergio D; Romero, Nichols A; Rubenstein, Brenda M; Shea, Jacqueline A R; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F; Townsend, Joshua P; Tubman, Norm M; Van Der Goetz, Brett; Vincent, Jordan E; Yang, D ChangMo; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-16

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

Effect of wave function on the proton induced L XRP cross sections for {sub 62}Sm and {sub 74}W

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shehla,; Kaur, Rajnish; Kumar, Anil

The L{sub k}(k= 1, α, β, γ) X-ray production cross sections have been calculated for {sub 74}W and {sub 62}Sm at different incident proton energies ranging 1-5 MeV using theoretical data sets of different physical parameters, namely, the Li(i=1-3) sub-shell X-ray emission rates based on the Dirac-Fork (DF) model, the fluorescence and Coster Kronig yields based on the Dirac- Hartree-Slater (DHS) model and two sets the proton ionization cross sections based on the DHS model and the ECPSSR in order to assess the influence of the wave function on the XRP cross sections. The calculated cross sections have been compared withmore » the measured cross sections reported in the recent compilation to check the reliability of the calculated values.« less

Implementation of Slater Boundary Condition into OVERFLOW

NASA Astrophysics Data System (ADS)

Duncan, Sean

Bleed is one of the primary methods of controlling the flow within a mixed compression inlet. In this work the Slater boundary condition, first applied in WindUS, is implemented in OVERFLOW. Further, a simulation using discrete holes is run in order to show the differences between use of the boundary condition and use of the bleed hole geometry. Recent tests at Wright Patterson Air Force Base seek to provide a baseline for study of mixed compression inlets. The inlet used by the Air Force Research Laboratory is simulated in the modified OVERFLOW. The results from the experiment are compared to the CFD to qualitatively assess the accuracy of the simulations. The boundary condition is shown to be robust and viable in studying bleed.

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.

PubMed

Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia

2016-03-08

A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented.

Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals

NASA Astrophysics Data System (ADS)

Lesiuk, Michał; Moszynski, Robert

2014-12-01

In this paper we consider the calculation of two-center exchange integrals over Slater-type orbitals (STOs). We apply the Neumann expansion of the Coulomb interaction potential and consider calculation of all basic quantities which appear in the resulting expression. Analytical closed-form equations for all auxiliary quantities have already been known but they suffer from large digital erosion when some of the parameters are large or small. We derive two differential equations which are obeyed by the most difficult basic integrals. Taking them as a starting point, useful series expansions for small parameter values or asymptotic expansions for large parameter values are systematically derived. The resulting expansions replace the corresponding analytical expressions when the latter introduce significant cancellations. Additionally, we reconsider numerical integration of some necessary quantities and present a new way to calculate the integrand with a controlled precision. All proposed methods are combined to lead to a general, stable algorithm. We perform extensive numerical tests of the introduced expressions to verify their validity and usefulness. Advances reported here provide methodology to compute two-electron exchange integrals over STOs for a broad range of the nonlinear parameters and large angular momenta.

Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom.

PubMed

Bischoff, Florian A; Harrison, Robert J; Valeev, Edward F

2012-09-14

We present an approach to compute accurate correlation energies for atoms and molecules using an adaptive discontinuous spectral-element multiresolution representation for the two-electron wave function. Because of the exponential storage complexity of the spectral-element representation with the number of dimensions, a brute-force computation of two-electron (six-dimensional) wave functions with high precision was not practical. To overcome the key storage bottlenecks we utilized (1) a low-rank tensor approximation (specifically, the singular value decomposition) to compress the wave function, and (2) explicitly correlated R12-type terms in the wave function to regularize the Coulomb electron-electron singularities of the Hamiltonian. All operations necessary to solve the Schrödinger equation were expressed so that the reconstruction of the full-rank form of the wave function is never necessary. Numerical performance of the method was highlighted by computing the first-order Møller-Plesset wave function of a helium atom. The computed second-order Møller-Plesset energy is precise to ~2 microhartrees, which is at the precision limit of the existing general atomic-orbital-based approaches. Our approach does not assume special geometric symmetries, hence application to molecules is straightforward.

Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clay, Raymond C.; Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550; Morales, Miguel A., E-mail: moralessilva2@llnl.gov

2015-06-21

Multideterminant wavefunctions, while having a long history in quantum chemistry, are increasingly being used in highly accurate quantum Monte Carlo calculations. Since the accuracy of QMC is ultimately limited by the quality of the trial wavefunction, multi-Slater determinants wavefunctions offer an attractive alternative to Slater-Jastrow and more sophisticated wavefunction ansatz for several reasons. They can be efficiently calculated, straightforwardly optimized, and systematically improved by increasing the number of included determinants. In spite of their potential, however, the convergence properties of multi-Slater determinant wavefunctions with respect to orbital set choice and excited determinant selection are poorly understood, which hinders the applicationmore » of these wavefunctions to large systems and solids. In this paper, by performing QMC calculations on the equilibrium and stretched carbon dimer, we find that convergence of the recovered correlation energy with respect to number of determinants can depend quite strongly on basis set and determinant selection methods, especially where there is strong correlation. We demonstrate that properly chosen orbital sets and determinant selection techniques from quantum chemistry methods can dramatically reduce the required number of determinants (and thus the computational cost) to reach a given accuracy, which we argue shows clear need for an automatic QMC-only method for selecting determinants and generating optimal orbital sets.« less

Phase diagram of a symmetric electron-hole bilayer system: a variational Monte Carlo study.

PubMed

Sharma, Rajesh O; Saini, L K; Bahuguna, Bhagwati Prasad

2018-05-10

We study the phase diagram of a symmetric electron-hole bilayer system at absolute zero temperature and in zero magnetic field within the quantum Monte Carlo approach. In particular, we conduct variational Monte Carlo simulations for various phases, i.e. the paramagnetic fluid phase, the ferromagnetic fluid phase, the anti-ferromagnetic Wigner crystal phase, the ferromagnetic Wigner crystal phase and the excitonic phase, to estimate the ground-state energy at different values of in-layer density and inter-layer spacing. Slater-Jastrow style trial wave functions, with single-particle orbitals appropriate for different phases, are used to construct the phase diagram in the (r s , d) plane by finding the relative stability of trial wave functions. At very small layer separations, we find that the fluid phases are stable, with the paramagnetic fluid phase being particularly stable at [Formula: see text] and the ferromagnetic fluid phase being particularly stable at [Formula: see text]. As the layer spacing increases, we first find that there is a phase transition from the ferromagnetic fluid phase to the ferromagnetic Wigner crystal phase when d reaches 0.4 a.u. at r s   =  20, and before there is a return to the ferromagnetic fluid phase when d approaches 1 a.u. However, for r s   <  20 and [Formula: see text] a.u., the excitonic phase is found to be stable. We do not find that the anti-ferromagnetic Wigner crystal is stable over the considered range of r s and d. We also find that as r s increases, the critical layer separations for Wigner crystallization increase.

Properties of resonance wave functions.

NASA Technical Reports Server (NTRS)

More, R. M.; Gerjuoy, E.

1973-01-01

Construction and study of resonance wave functions corresponding to poles of the Green's function for several illustrative models of theoretical interest. Resonance wave functions obtained from the Siegert and Kapur-Peierls definitions of the resonance energies are compared. The comparison especially clarifies the meaning of the normalization constant of the resonance wave functions. It is shown that the wave functions may be considered renormalized in a sense analogous to that of quantum field theory. However, this renormalization is entirely automatic, and the theory has neither ad hoc procedures nor infinite quantities.

Study of travelling wave solutions for some special-type nonlinear evolution equations

NASA Astrophysics Data System (ADS)

Song, Junquan; Hu, Lan; Shen, Shoufeng; Ma, Wen-Xiu

2018-07-01

The tanh-function expansion method has been improved and used to construct travelling wave solutions of the form U={\\sum }j=0n{a}j{\\tanh }jξ for some special-type nonlinear evolution equations, which have a variety of physical applications. The positive integer n can be determined by balancing the highest order linear term with the nonlinear term in the evolution equations. We improve the tanh-function expansion method with n = 0 by introducing a new transform U=-W\\prime (ξ )/{W}2. A nonlinear wave equation with source terms, and mKdV-type equations, are considered in order to show the effectiveness of the improved scheme. We also propose the tanh-function expansion method of implicit function form, and apply it to a Harry Dym-type equation as an example.

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

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

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

Photoelectron wave function in photoionization: plane wave or Coulomb wave?

PubMed

Gozem, Samer; Gunina, Anastasia O; Ichino, Takatoshi; Osborn, David L; Stanton, John F; Krylov, Anna I

2015-11-19

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectron wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. The results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.

Recurrence formulas for fully exponentially correlated four-body wave functions

NASA Astrophysics Data System (ADS)

Harris, Frank E.

2009-03-01

Formulas are presented for the recursive generation of four-body integrals in which the integrand consists of arbitrary integer powers (≥-1) of all the interparticle distances rij , multiplied by an exponential containing an arbitrary linear combination of all the rij . These integrals are generalizations of those encountered using Hylleraas basis functions and include all that are needed to make energy computations on the Li atom and other four-body systems with a fully exponentially correlated Slater-type basis of arbitrary quantum numbers. The only quantities needed to start the recursion are the basic four-body integral first evaluated by Fromm and Hill plus some easily evaluated three-body “boundary” integrals. The computational labor in constructing integral sets for practical computations is less than when the integrals are generated using explicit formulas obtained by differentiating the basic integral with respect to its parameters. Computations are facilitated by using a symbolic algebra program (MAPLE) to compute array index pointers and present syntactically correct FORTRAN source code as output; in this way it is possible to obtain error-free high-speed evaluations with minimal effort. The work can be checked by verifying sum rules the integrals must satisfy.

Evaluation of cluster expansions and correlated one-body properties of nuclei

NASA Astrophysics Data System (ADS)

Moustakidis, Ch. C.; Massen, S. E.; Panos, C. P.; Grypeos, M. E.; Antonov, A. N.

2001-07-01

Three different cluster expansions for the evaluation of correlated one-body properties of s-p and s-d shell nuclei are compared. Harmonic oscillator wave functions and Jastrow-type correlations are used, while analytical expressions are obtained for the charge form factor, density distribution, and momentum distribution by truncating the expansions and using a standard Jastrow correlation function f. The harmonic oscillator parameter b and the correlation parameter β have been determined by a least-squares fit to the experimental charge form factors in each case. The information entropy of nuclei in position space (Sr) and momentum space (Sk) according to the three methods are also calculated. It is found that the larger the entropy sum, S=Sr+Sk (the net information content of the system), the smaller the values of χ2. This indicates that maximal S is a criterion of the quality of a given nuclear model, according to the maximum entropy principle. Only two exceptions to this rule, out of many cases examined, were found. Finally an analytic expression for the so-called ``healing'' or ``wound'' integrals is derived with the function f considered, for any state of the relative two-nucleon motion, and their values in certain cases are computed and compared.

Adaptive multiconfigurational wave functions.

PubMed

Evangelista, Francesco A

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions. The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N2 and the potential energy curves for the first three singlet states of C2. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu2O2(2+) core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.

Measuring market orientation: further evidence on Narver and Slater's three-component scale.

PubMed

Chakrabarty, Subhra; Rogé, Joseph N

2003-12-01

A mail survey of a national random sample of 2,000 marketing managers was conducted. The data provided by 222 respondents were analyzed to assess the dimensionality of Narver and Slater's 15-item measure of market orientation. A confirmatory factor analysis, using LISREL 8.53, provided support for each of the separate dimensions of customer orientation, competitor orientation, and interfunctional coordination. However, a combined 3-factor model of market orientation was not supported. Directions for research are suggested.

Pulse wave velocity and cardiac autonomic function in type 2 diabetes mellitus.

PubMed

Chorepsima, Stamatina; Eleftheriadou, Ioanna; Tentolouris, Anastasios; Moyssakis, Ioannis; Protogerou, Athanasios; Kokkinos, Alexandros; Sfikakis, Petros P; Tentolouris, Nikolaos

2017-05-19

Increased carotid-femoral pulse wave velocity (PWV) has been associated with incident cardiovascular disease, independently of traditional risk factors. Cardiac autonomic dysfunction is a common complication of diabetes and has been associated with reduced aortic distensibility. However, the association of cardiac autonomic dysfunction with PWV is not known. In this study we examined the association between cardiac autonomic function and PWV in subjects with type 2 diabetes mellitus. A total of 290 patients with type 2 diabetes were examined. PWV was measured at the carotid-femoral segment with applanation tonometry. Central mean arterial blood pressure (MBP) was determined by the same apparatus. Participants were classified as having normal (n = 193) or abnormal (n = 97) PWV values using age-corrected values. Cardiac autonomic nervous system activity was determined by measurement of parameters of heart rate variability (HRV). Subjects with abnormal PWV were older, had higher arterial blood pressure and higher heart rate than those with normal PWV. Most of the values of HRV were significantly lower in subjects with abnormal than in those with normal PWV. Multivariate analysis, after controlling for various confounding factors, demonstrated that abnormal PWV was associated independently only with peripheral MBP [odds ratio (OR) 1.049, 95% confidence intervals (CI) 1.015-1.085, P = 0.005], central MBP (OR 1.052, 95% CI 1.016-1.088, P = 0.004), log total power (OR 0.490, 95% CI 0.258-0.932, P = 0.030) and log high frequency power (OR 0.546, 95% CI 0.301-0.991, P = 0.047). In subjects with type 2 diabetes, arterial blood pressure and impaired cardiac autonomic function is associated independently with abnormal PWV.

Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions.

PubMed

Harris, Frank E

2016-05-28

Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance rij. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validated by showing that they yield correct results for a large number of integrals published by other investigators.

Adaptive multiconfigurational wave functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evangelista, Francesco A., E-mail: francesco.evangelista@emory.edu

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions.more » The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N{sub 2} and the potential energy curves for the first three singlet states of C{sub 2}. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu{sub 2}O{sub 2}{sup 2+} core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.« less

Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harris, Frank E., E-mail: harris@qtp.ufl.edu

Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance r{sub ij}. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validatedmore » by showing that they yield correct results for a large number of integrals published by other investigators.« less

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

PubMed

Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

2017-01-17

The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than

Mathematical model of snake-type multi-directional wave generation

NASA Astrophysics Data System (ADS)

Muarif; Halfiani, Vera; Rusdiana, Siti; Munzir, Said; Ramli, Marwan

2018-01-01

Research on extreme wave generation is one intensive research on water wave study because the fact that the occurrence of this wave in the ocean can cause serious damage to the ships and offshore structures. One method to be used to generate the wave is self-correcting. This method controls the signal on the wavemakers in a wave tank. Some studies also consider the nonlinear wave generation in a wave tank by using numerical approach. Study on wave generation is essential in the effectiveness and efficiency of offshore structure model testing before it can be operated in the ocean. Generally, there are two types of wavemakers implemented in the hydrodynamic laboratory, piston-type and flap-type. The flap-type is preferred to conduct a testing to a ship in deep water. Single flap wavemaker has been explained in many studies yet snake-type wavemaker (has more than one flap) is still a case needed to be examined. Hence, the formulation in controlling the wavemaker need to be precisely analyzed such that the given input can generate the desired wave in the space-limited wave tank. By applying the same analogy and methodhology as the previous study, this article represents multi-directional wave generation by implementing snake-type wavemakers.

Periodic wave, breather wave and travelling wave solutions of a (2 + 1)-dimensional B-type Kadomtsev-Petviashvili equation in fluids or plasmas

NASA Astrophysics Data System (ADS)

Hu, Wen-Qiang; Gao, Yi-Tian; Jia, Shu-Liang; Huang, Qian-Min; Lan, Zhong-Zhou

2016-11-01

In this paper, a (2 + 1)-dimensional B-type Kadomtsev-Petviashvili equation is investigated, which has been presented as a model for the shallow water wave in fluids or the electrostatic wave potential in plasmas. By virtue of the binary Bell polynomials, the bilinear form of this equation is obtained. With the aid of the bilinear form, N -soliton solutions are obtained by the Hirota method, periodic wave solutions are constructed via the Riemann theta function, and breather wave solutions are obtained according to the extended homoclinic test approach. Travelling waves are constructed by the polynomial expansion method as well. Then, the relations between soliton solutions and periodic wave solutions are strictly established, which implies the asymptotic behaviors of the periodic waves under a limited procedure. Furthermore, we obtain some new solutions of this equation by the standard extended homoclinic test approach. Finally, we give a generalized form of this equation, and find that similar analytical solutions can be obtained from the generalized equation with arbitrary coefficients.

Addendum to foundations of multidimensional wave field signal theory: Gaussian source function

NASA Astrophysics Data System (ADS)

Baddour, Natalie

2018-02-01

Many important physical phenomena are described by wave or diffusion-wave type equations. Recent work has shown that a transform domain signal description from linear system theory can give meaningful insight to multi-dimensional wave fields. In N. Baddour [AIP Adv. 1, 022120 (2011)], certain results were derived that are mathematically useful for the inversion of multi-dimensional Fourier transforms, but more importantly provide useful insight into how source functions are related to the resulting wave field. In this short addendum to that work, it is shown that these results can be applied with a Gaussian source function, which is often useful for modelling various physical phenomena.

Ab initio calculation of one-nucleon halo states

NASA Astrophysics Data System (ADS)

Rodkin, D. M.; Tchuvil'sky, Yu M.

2018-02-01

We develop an approach to microscopic and ab initio description of clustered systems, states with halo nucleon and one-nucleon resonances. For these purposes a basis combining ordinary shell-model components and cluster-channel terms is built up. The transformation of clustered wave functions to the uniform Slater-determinant type is performed using the concept of cluster coefficients. The resulting basis of orthonormalized wave functions is used for calculating the eigenvalues and the eigenvectors of Hamiltonians built in the framework of ab initio approaches. Calculations of resonance and halo states of 5He, 9Be and 9B nuclei demonstrate that the approach is workable and labor-saving.

Software-type Wave-Particle Interaction Analyzer (SWPIA) by RPWI for JUICE

NASA Astrophysics Data System (ADS)

Katoh, Y.; Kojima, H.; Asamura, K.; Kasaba, Y.; Tsuchiya, F.; Kasahara, Y.; Ishisaka, S.; Kimura, T.; Miyoshi, Y.; Santolik, O.; Bergman, J.; Puccio, W.; Gill, R.; Wieser, M.; Schmidt, W.; Barabash, S.; Wahlund, J.-E.

2017-09-01

Software-type Wave-Particle Interaction Analyzer (SWPIA) will be realized as a software function of Low-Frequency receiver (LF) running on the DPU of RPWI (Radio and Plasma Waves Investigation) for the ESA JUICE mission. SWPIA conducts onboard computations of physical quantities indicating the energy exchange between plasma waves and energetic ions. Onboard inter-instruments communications are necessary to realize SWPIA, which will be implemented by efforts of RPWI, PEP (Particle Environment Package) and J-MAG (JUICE Magnetometer). By providing the direct evidence of ion energization processes by plasma waves around Jovian satellites, SWPIA contributes scientific output of JUICE as much as possible with keeping its impact on the telemetry data size to a minimum.

Impact of interfacial imperfection on transverse wave in a functionally graded piezoelectric material structure with corrugated boundaries

NASA Astrophysics Data System (ADS)

Kumar Singh, Abhishek; Kumar, Santan; Kumari, Richa

2018-03-01

The propagation behavior of Love-type wave in a corrugated functionally graded piezoelectric material layered structure has been taken into account. Concretely, the layered structure incorporates a corrugated functionally graded piezoelectric material layer imperfectly bonded to a functionally graded piezoelectric material half-space. An analytical treatment has been employed to determine the dispersion relation for both cases of electrically open condition and electrically short condition. The phase velocity of the Love-type wave has been computed numerically and its dependence on the wave number has been depicted graphically for a specific type of corrugated boundary surfaces for both said conditions. The crux of the study lies in the fact that the imperfect bonding of the interface, the corrugated boundaries present in the layer, and the material properties of the layer and the half-space strongly influence the phase velocity of the Love-type wave. It can be remarkably noted that the imperfect bonding of the interface reduces the phase velocity of the Love-type wave significantly. As a special case of the problem, it is noticed that the procured dispersion relation for both cases of electrically open and electrically short conditions is in accordance with the classical Love wave equation.

EDF: Computing electron number probability distribution functions in real space from molecular wave functions

NASA Astrophysics Data System (ADS)

Francisco, E.; Pendás, A. Martín; Blanco, M. A.

2008-04-01

: 2.80 GHz Intel Pentium IV CPU Operating system: GNU/Linux RAM: 55 992 KB Word size: 32 bits Classification: 2.7 External routines: Netlib Nature of problem: Let us have an N-electron molecule and define an exhaustive partition of the physical space into m three-dimensional regions. The edf program computes the probabilities P(n,n,…,n)≡P({n}) of all possible allocations of n electrons to Ω, n electrons to Ω,…, and n electrons to Ω,{n} being integers. Solution method: Let us assume that the N-electron molecular wave function, Ψ(1,N), is a linear combination of M Slater determinants, Ψ(1,N)=∑rMCψ(1,N). Calling SΩrs the overlap matrix over the 3D region Ω between the (real) molecular spin-orbitals (MSO) in ψ(χ1r,…χNr) and the MSOs in ψ,(χ1s,…,χNs), edf finds all the P({n})'s by solving the linear system ∑{n}{∏kmtkn}P({n})=∑r,sMCCdet[∑kmtSΩrs], where t=1 and t,…,t are arbitrary real numbers. Restrictions: The number of {n} sets grows very fast with m and N, so that the dimension of the linear system (1) soon becomes very large. Moreover, the computer time required to obtain the determinants in the second member of Eq. (1) scales quadratically with M. These two facts limit the applicability of the method to relatively small molecules. Unusual features: Most of the real variables are of precision real*16. Running time: 0.030, 2.010, and 0.620 seconds for Test examples 1, 2, and 3, respectively. References: [1] A. Martín Pendás, E. Francisco, M.A. Blanco, Faraday Discuss. 135 (2007) 423-438. [2] A. Martín Pendás, E. Francisco, M.A. Blanco, J. Phys. Chem. A 111 (2007) 1084-1090. [3] A. Martín Pendás, E. Francisco, M.A. Blanco, Phys. Chem. Chem. Phys. 9 (2007) 1087-1092. [4] E. Francisco, A. Martín Pendás, M.A. Blanco, J. Chem. Phys. 126 (2007) 094102. [5] A. Martín Pendás, E. Francisco, M.A. Blanco, C. Gatti, Chemistry: A European Journal 113 (2007) 9362-9371.

Wigner molecules: the strong-correlation limit of the three-electron harmonium.

PubMed

Cioslowski, Jerzy; Pernal, Katarzyna

2006-08-14

At the strong-correlation limit, electronic states of the three-electron harmonium atom are described by asymptotically exact wave functions given by products of distinct Slater determinants and a common Gaussian factor that involves interelectron distances and the center-of-mass position. The Slater determinants specify the angular dependence and the permutational symmetry of the wave functions. As the confinement strength becomes infinitesimally small, the states of different spin multiplicities become degenerate, their limiting energy reflecting harmonic vibrations of the electrons about their equilibrium positions. The corresponding electron densities are given by products of angular factors and a Gaussian function centered at the radius proportional to the interelectron distance at equilibrium. Thanks to the availability of both the energy and the electron density, the strong-correlation limit of the three-electron harmonium is well suited for testing of density functionals.

Angular distribution of photoelectrons from atomic oxygen, nitrogen and carbon. [in upper atmosphere

NASA Technical Reports Server (NTRS)

Manson, S. J.; Kennedy, D. J.; Starace, A. F.; Dill, D.

1974-01-01

The angular distributions of photoelectrons from atomic oxygen, nitrogen, and carbon are calculated. Both Hartree-Fock and Hartree-Slater (Herman-Skillman) wave functions are used for oxygen, and the agreement is excellent; thus only Hartree-Slater functions are used for carbon and nitrogen. The pitch-angle distribution of photoelectrons is discussed, and it is shown that previous approximations of energy-independent isotropic or sin squared theta distributions are at odds with the authors' results, which vary with energy. This variation with energy is discussed, as is the reliability of these calculations.

Slater insulator in iridate perovskites with strong spin-orbit coupling

DOE PAGES

Cui, Q.; Cheng, J. -G.; Fan, W.; ...

2016-10-20

The perovskite SrIrO 3 is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn 4+ for Ir 4+ in the SrIr 1–xSn xO 3 perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at T N ≥ 225 K. The continuous change of the cell volume as detected by x-ray diffractionmore » and the λ-shape transition of the specific heat on cooling through T N demonstrate that the metal-insulator transition is of second order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type- G AF spin ordering below T N. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. Furthermore, a reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below T N in the same way as proposed by Slater.« less

Slater Insulator in Iridate Perovskites with Strong Spin-Orbit Coupling.

PubMed

Cui, Q; Cheng, J-G; Fan, W; Taylor, A E; Calder, S; McGuire, M A; Yan, J-Q; Meyers, D; Li, X; Cai, Y Q; Jiao, Y Y; Choi, Y; Haskel, D; Gotou, H; Uwatoko, Y; Chakhalian, J; Christianson, A D; Yunoki, S; Goodenough, J B; Zhou, J-S

2016-10-21

The perovskite SrIrO_{3} is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn^{4+} for Ir^{4+} in the SrIr_{1-x}Sn_{x}O_{3} perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at T_{N}≥225  K. The continuous change of the cell volume as detected by x-ray diffraction and the λ-shape transition of the specific heat on cooling through T_{N} demonstrate that the metal-insulator transition is of second order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type-G AF spin ordering below T_{N}. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. A reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below T_{N} in the same way as proposed by Slater.

Quench of paramagnetic orbital selective Mott phase and appearance of antiferromagnetic orbital selective slater phase in multiorbital correlated systems

NASA Astrophysics Data System (ADS)

Quan, Ya-Min; Liu, Da-Yong; Lin, Hai-Qing; Zou, Liang-Jian

2018-06-01

We present the modulation of magnetic order on the orbital selective Mott phases (OSMP) and the metal-insulator transitions (MIT) of multi-orbital Hubbard models by employing the rotationally invariant slave-boson methods. We show that at half filling, the well-known paramagnetic (PM) OSMP is completely covered by an antiferromagnetic (AFM) Slater insulator, and the PM Mott phase by an AFM Mott insulator when electron correlation strength varies from intermediate to strong both in two- and three-orbitals Hubbard systems. Away from half-filling, we find that a partial-polarized AFM orbital-selective Slater phase appears in the intermediate correlation regime, and an almost full-polarized AFM OSMP fully covers the paramagnetic OSMP. In addition, the ferromagnetic phase in the three-orbital case is more robust than that in the two-orbital case. These results demonstrate that the modulation of magnetic correlation to the quasiparticle spectra leads to much rich and more interesting MIT scenario in multiorbital correlated systems.

Rayleigh-type waves in nonlocal micropolar solid half-space.

PubMed

Khurana, Aarti; Tomar, S K

2017-01-01

Propagation of Rayleigh type surface waves in nonlocal micropolar elastic solid half-space has been investigated. Two modes of Rayleigh-type waves are found to propagate under certain approximations. Frequency equations of these Rayleigh type modes and their conditions of existence have been derived. These frequency equations are found to be dispersive in character due to the presence of micropolarity and nonlocality parameters in the medium. One of the frequency equations is a counterpart of the classical Rayleigh waves and the other is new and has appeared due to micropolarity of the medium. Phase speeds of these waves are computed numerically for Magnesium crystal and their variation against wavenumber are presented graphically. Comparisons have been made between the phase speeds of Rayleigh type waves through nonlocal micropolar, local micropolar and elastic solid half-spaces. Copyright © 2016 Elsevier B.V. All rights reserved.

Coulomb wave functions in momentum space

DOE PAGES

Eremenko, V.; Upadhyay, N. J.; Thompson, I. J.; ...

2015-10-15

We present an algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space. The arguments are the Sommerfeld parameter η, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are real. Since the partial-wave Coulomb functions exhibit singular behavior when p → q, different representations of the Legendre functions of the 2nd kind need to be implemented in computing the functions for the values of p close to the singularity and far away from it. The code for the momentum-space Coulomb wave functions is applicable for values of vertical bar eta vertical barmore » in the range of 10 -1 to 10, and thus is particularly suited for momentum space calculations of nuclear reactions.« less

Spin flux and magnetic solitons in an interacting two-dimensional electron gas: Topology of two-valued wave functions

NASA Astrophysics Data System (ADS)

John, Sajeev; Golubentsev, Andrey

1995-01-01

It is suggested that an interacting many-electron system in a two-dimensional lattice may condense into a topological magnetic state distinct from any discussed previously. This condensate exhibits local spin-1/2 magnetic moments on the lattice sites but is composed of a Slater determinant of single-electron wave functions which exist in an orthogonal sector of the electronic Hilbert space from the sector describing traditional spin-density-wave or spiral magnetic states. These one-electron spinor wave functions have the distinguishing property that they are antiperiodic along a closed path encircling any elementary plaquette of the lattice. This corresponds to a 2π rotation of the internal coordinate frame of the electron as it encircles the plaquette. The possibility of spinor wave functions with spatial antiperiodicity is a direct consequence of the two-valuedness of the internal electronic wave function defined on the space of Euler angles describing its spin. This internal space is the topologically, doubly-connected, group manifold of SO(3). Formally, these antiperiodic wave functions may be described by passing a flux which couples to spin (rather than charge) through each of the elementary plaquettes of the lattice. When applied to the two-dimensional Hubbard model with one electron per site, this new topological magnetic state exhibits a relativistic spectrum for charged, quasiparticle excitations with a suppressed one-electron density of states at the Fermi level. For a topological antiferromagnet on a square lattice, with the standard Hartree-Fock, spin-density-wave decoupling of the on-site Hubbard interaction, there is an exact mapping of the low-energy one-electron excitation spectrum to a relativistic Dirac continuum field theory. In this field theory, the Dirac mass gap is precisely the Mott-Hubbard charge gap and the continuum field variable is an eight-component Dirac spinor describing the components of physical electron-spin amplitude on each of

Potential applications of low-energy shock waves in functional urology.

PubMed

Wang, Hung-Jen; Cheng, Jai-Hong; Chuang, Yao-Chi

2017-08-01

A shock wave, which carries energy and can propagate through a medium, is a type of continuous transmitted sonic wave with a frequency of 16 Hz-20 MHz. It is accompanied by processes involving rapid energy transformations. The energy associated with shock waves has been harnessed and used for various applications in medical science. High-energy extracorporeal shock wave therapy is the most successful application of shock waves, and has been used to disintegrate urolithiasis for 30 years. At lower energy levels, however, shock waves have enhanced expression of vascular endothelial growth factor, endothelial nitric oxide synthase, proliferating cell nuclear antigen, chemoattractant factors and recruitment of progenitor cells; shock waves have also improved tissue regeneration. Low-energy shock wave therapy has been used clinically with musculoskeletal disorders, ischemic cardiovascular disorders and erectile dysfunction, through the mechanisms of neovascularization, anti-inflammation and tissue regeneration. Furthermore, low-energy shock waves have been proposed to temporarily increase tissue permeability and facilitate intravesical drug delivery. The present review article provides information on the basics of shock wave physics, mechanisms of action on the biological system and potential applications in functional urology. © 2017 The Japanese Urological Association.

Generalized Slater--Pauling curve and the role of metalloids in Fe-based amorphous alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sostarich, M.

1990-05-01

A modification of the generalized Slater--Pauling curve so as to consider the concentration dependence of the number of majority-spin {ital sp} electrons per average atom is proposed for amorphous iron-metalloid alloys. In this way an improved matching of the measured magnetic moment dependence on composition is achieved for Fe alloys with B and/or P as metalloids. Comparison of theory with experiment shows that amorphous Fe-P alloys tend to be magnetically rather strong, whereas their Fe-B counterparts are weak itinerant ferromagnets in almost the entire range of compositions.

Generalized description of few-electron quantum dots at zero and nonzero magnetic fields

NASA Astrophysics Data System (ADS)

Ciftja, Orion

2007-01-01

We introduce a generalized ground state variational wavefunction for parabolically confined two-dimensional quantum dots that equally applies to both cases of weak (or zero) and strong magnetic field. The wavefunction has a Laughlin-like form in the limit of infinite magnetic field, but transforms into a Jastrow-Slater wavefunction at zero magnetic field. At intermediate magnetic fields (where a fraction of electrons is spin-reversed) it resembles Halperin's spin-reversed wavefunction for the fractional quantum Hall effect. The properties of this variational wavefunction are illustrated for the case of two-dimensional quantum dot helium (a system of two interacting electrons in a parabolic confinement potential) where we find the description to be an excellent representation of the true ground state for the whole range of magnetic fields.

On the exact solutions of high order wave equations of KdV type (I)

NASA Astrophysics Data System (ADS)

Bulut, Hasan; Pandir, Yusuf; Baskonus, Haci Mehmet

2014-12-01

In this paper, by means of a proper transformation and symbolic computation, we study high order wave equations of KdV type (I). We obtained classification of exact solutions that contain soliton, rational, trigonometric and elliptic function solutions by using the extended trial equation method. As a result, the motivation of this paper is to utilize the extended trial equation method to explore new solutions of high order wave equation of KdV type (I). This method is confirmed by applying it to this kind of selected nonlinear equations.

Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment.

PubMed

Giesbertz, Klaas J H; van Leeuwen, Robert

2014-05-14

Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r12) depending on the interelectronic distance r12. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f (r12) needs to diverge for large r12 at large internuclear distances while for shorter bond distances it increases as a function of r12 to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

Six Impossible Things: Fractional Charge From Laughlin's Wave Function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shrivastava, Keshav N.

2010-12-23

The Laughlin's wave function is found to be the zero-energy ground state of a {delta}-function Hamiltonian. The finite negative value of the ground state energy which is 91 per cent of Wigner value, can be obtained only when Coulomb correlations are introduced. The Laughlin's wave function is of short range and it overlaps with that of the exact wave functions of small (number of electrons 2 or 5) systems. (i) It is impossible to obtain fractional charge from Laughlin's wave function. (ii) It is impossible to prove that the Laughlin's wave function gives the ground state of the Coulomb Hamiltonian.more » (iii) It is impossible to have particle-hole symmetry in the Laughlin's wave function. (iv) It is impossible to derive the value of m in the Laughlin's wave function. The value of m in {psi}{sub m} can not be proved to be 3 or 5. (v) It is impossible to prove that the Laughlin's state is incompressible because the compressible states are also likely. (vi) It is impossible for the Laughlin's wave function to have spin. This effort is directed to explain the experimental data of quantum Hall effect in GaAs/AlGaAs.« less

Tables Of Gaussian-Type Orbital Basis Functions

NASA Technical Reports Server (NTRS)

Partridge, Harry

1992-01-01

NASA technical memorandum contains tables of estimated Hartree-Fock wave functions for atoms lithium through neon and potassium through krypton. Sets contain optimized Gaussian-type orbital exponents and coefficients, and near Hartree-Fock quality. Orbital exponents optimized by minimizing restricted Hartree-Fock energy via scaled Newton-Raphson scheme in which Hessian evaluated numerically by use of analytically determined gradients.

Acoustic Wave Propagation in Snow Based on a Biot-Type Porous Model

NASA Astrophysics Data System (ADS)

Sidler, R.

2014-12-01

Despite the fact that acoustic methods are inexpensive, robust and simple, the application of seismic waves to snow has been sparse. This might be due to the strong attenuation inherent to snow that prevents large scale seismic applications or due to the somewhat counterintuitive acoustic behavior of snow as a porous material. Such materials support a second kind of compressional wave that can be measured in fresh snow and which has a decreasing wave velocity with increasing density of snow. To investigate wave propagation in snow we construct a Biot-type porous model of snow as a function of porosity based on the assumptions that the solid frame is build of ice, the pore space is filled with a mix of air, or air and water, and empirical relationships for the tortuosity, the permeability, the bulk, and the shear modulus.We use this reduced model to investigate compressional and shear wave velocities of snow as a function of porosity and to asses the consequences of liquid water in the snowpack on acoustic wave propagation by solving Biot's differential equations with plain wave solutions. We find that the fast compressional wave velocity increases significantly with increasing density, but also that the fast compressional wave velocity might be even lower than the slow compressional wave velocity for very light snow. By using compressional and shear strength criteria and solving Biot's differential equations with a pseudo-spectral approach we evaluate snow failure due to acoustic waves in a heterogeneous snowpack, which we think is an important mechanism in triggering avalanches by explosives as well as by skiers. Finally, we developed a low cost seismic acquisition device to assess the theoretically obtained wave velocities in the field and to explore the possibility of an inexpensive tool to remotely gather snow water equivalent.

Determination of wave-function functionals: The constrained-search variational method

NASA Astrophysics Data System (ADS)

Pan, Xiao-Yin; Sahni, Viraht; Massa, Lou

2005-09-01

In a recent paper [Phys. Rev. Lett. 93, 130401 (2004)], we proposed the idea of expanding the space of variations in variational calculations of the energy by considering the approximate wave function ψ to be a functional of functions χ , ψ=ψ[χ] , rather than a function. A constrained search is first performed over all functions χ such that the wave-function functional ψ[χ] satisfies a physical constraint or leads to the known value of an observable. A rigorous upper bound to the energy is then obtained via the variational principle. In this paper we generalize the constrained-search variational method, applicable to both ground and excited states, to the determination of arbitrary Hermitian single-particle operators as applied to two-electron atomic and ionic systems. We construct analytical three-parameter ground-state functionals for the H- ion and the He atom through the constraint of normalization. We present the results for the total energy E , the expectations of the single-particle operators W=∑irin , n=-2,-1,1,2 , W=∑iδ(ri) , and W=∑iδ(ri-r) , the structure of the nonlocal Coulomb hole charge ρc(rr') , and the expectations of the two particle operators u2,u,1/u,1/u2 , where u=∣ri-rj∣ . The results for all the expectation values are remarkably accurate when compared with the 1078-parameter wave function of Pekeris, and other wave functions that are not functionals. We conclude by describing our current work on how the constrained-search variational method in conjunction with quantal density-functional theory is being applied to the many-electron case.

Photoelectron wave function in photoionization: Plane wave or Coulomb wave? [Does photoionization of neutral targets produce Coulomb or plane waves?

DOE PAGES

Gozem, Samer; Gunina, Anastasia O.; Ichino, Takatoshi; ...

2015-10-28

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectronmore » wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. Finally, the results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.« less

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

PubMed

Petruzielo, F R; Toulouse, Julien; Umrigar, C J

2011-02-14

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.

Moreton wave, "EIT wave", and type II radio burst as manifestations of a single wave front

NASA Astrophysics Data System (ADS)

Kuzmenko, I. V.; Grechnev, V. V.; Uralov, A. M.

2011-12-01

We show that a Moreton wave, an "EIT wave," and a type II radio burst observed during a solar flare of July 13, 2004, might have been a manifestation of a single front of a decelerating shock wave, which appeared in an active region (AR) during a filament eruption. We propose describing a quasi-spheroidal wave propagating upward and along the solar surface by using relations known from a theory of a point-like explosion in a gas whose density changes along the radius according to a power law. By applying this law to fit the drop in density of the coronal plasma enveloping the solar active region, we first managed to bring the measured positions and velocities of surface Moreton wave and "EIT wave" into correspondence with the observed frequency drift rate of the meter type II radio burst. The exponent of the vertical coronal density falloff is selected by fitting the power law to the Newkirk and Saito empirical distributions in the height range of interest. Formal use of such a dependence in the horizontal direction with a different exponent appears to be reasonable up to distances of less than 200 Mm around the eruption center. It is possible to assume that the near-surface shock wave weakens when leaving this radius and finally the active region, entering the region of the quiet Sun where the coronal plasma density and the fast-mode speed are almost constant along the horizontal.

Calculation of the nucleon structure function from the nucleon wave function

NASA Technical Reports Server (NTRS)

Hussar, Paul E.

1993-01-01

Harmonic oscillator wave functions have played an historically important role in our understanding of the structure of the nucleon, most notably by providing insight into the mass spectra of the low-lying states. High energy scattering experiments are known to give us a picture of the nucleon wave function at high-momentum transfer and in a frame in which the nucleon is traveling fast. A simple model that crosses the twin bridges of momentum scale and Lorentz frame that separate the pictures of the nucleon wave function provided by the deep inelastic scattering data and by the oscillator model is presented.

Letter to the Editor [response to "Towards a new model of branch attachment" by D. Slater and C. Harbinson

Treesearch

Kevin T. Smith

2012-01-01

The recent article "Towards a new model of branch attachment" by D. Slater and C. Harbinson (Arboricultural Journal (2010), 33, pp. 95-105) criticises strongly the model of branch attachment described by Dr Alex Shigo in 1985. As I recall, my first glimpse of Shigo's model was literally drawn on the back of an airline cocktail napkin. He rushed into the...

Amorphous Slater-Pauling like behaviour in magnetic nanoparticles alloys synthesized in liquids

NASA Astrophysics Data System (ADS)

Boyer, Paul; Ménard, David; Meunier, Michel

2012-09-01

Nanoparticles of Fe, Co, Ni, and their alloys, with an average diameter of 12 nm were synthesized in liquids using a laser. Their saturation magnetization exhibited a Slater-Pauling-like behaviour with two main differences compared to that expected in bulk materials. First, the amplitude of the magnetization was found to be roughly 5 times smaller. Second, the disappearance of the ferromagnetic (FM) behaviour occurred at Ni instead of the expected Ni0.6Cu0.4. The behaviour can be explained by the presence of non-magnetic oxidized shells which reduced the fraction of ferromagnetic atoms and induce through strain an amorphous structure in the metallic core. Annealing at 500 K leads to some crystallization of the particles and thus to a partial recovery of the expected magnetization.

Evans function computation for the stability of travelling waves

NASA Astrophysics Data System (ADS)

Barker, B.; Humpherys, J.; Lyng, G.; Lytle, J.

2018-04-01

In recent years, the Evans function has become an important tool for the determination of stability of travelling waves. This function, a Wronskian of decaying solutions of the eigenvalue equation, is useful both analytically and computationally for the spectral analysis of the linearized operator about the wave. In particular, Evans-function computation allows one to locate any unstable eigenvalues of the linear operator (if they exist); this allows one to establish spectral stability of a given wave and identify bifurcation points (loss of stability) as model parameters vary. In this paper, we review computational aspects of the Evans function and apply it to multidimensional detonation waves. This article is part of the theme issue `Stability of nonlinear waves and patterns and related topics'.

Normal order and extended Wick theorem for a multiconfiguration reference wave function

NASA Astrophysics Data System (ADS)

Kutzelnigg, Werner; Mukherjee, Debashis

1997-07-01

A generalization of normal ordering and of Wick's theorem with respect to an arbitrary reference function Φ as some generalized "physical vacuum" is formulated in a different (but essentially equivalent) way than that suggested previously by one of the present authors. Guiding principles are that normal order operators with respect to any reference state must be expressible as linear combinations of those with respect to the genuine vacuum, that the vacuum expectation value of a normal order operator must vanish (with respect to the vacuum to which it is in normal order), and that the well-known formalism for a single Slater determinant as physical vacuum must be contained as a special case. The derivation is largely based on the concepts of "Quantum Chemistry in Fock space," which means that particle-number-conserving operators (excitation operators) play a central role. Nevertheless, the contraction rules in the frame of a generalized Wick theorem are derived, that hold for non-particle-number-conserving operators as well. The contraction rules are formulated and illustrated in terms of diagrams. The contractions involve the "residual n-particle density matrices" λ, which are the irreducible (non-factorizable) parts of the conventional n-particle density matrices γ, in the sense of a cumulant expansion for the density. A spinfree formulation is presented as well. The expression of the Hamiltonian in normal order with respect to a multiconfiguration reference function leads to a natural definition of a generalized Fock operator. MC-SCF-theory is easily worked out in this context. The paper concludes with a discussion of the excited configurations and the first-order interacting space, that underlies a perturbative coupled cluster type correction to the MCSCF function for an arbitrary reference function, and with general implications of the new formalism, that is related to "internally contracted multireference configuration interaction." The present

Ion-acoustic and electron-acoustic type nonlinear waves in dusty plasmas

NASA Astrophysics Data System (ADS)

Volosevich, A.-V.; Meister, C.-V.

2003-04-01

In the present work, two three-dimensional nonlinear theoretical models of electrostatic solitary waves are investigated within the frame of magnetohydrodynamics. Both times, a multi-component plasma is considered, which consists of hot electrons with a rather flexible distribution function, hot ions with Boltzmann-type distribution, and (negatively as well as positively charged) dust. Additionally, cold ion beams are taken into account in the model to study ion-acoustic structures (IAS), and cold electron beams are included into the model to investigate electron-acoustic structures (EAS). The numerical results of the considered theoretical models allow to make the following conclusions: 1) Electrostatic structures with negative potential (of rarefaction type) are formed both in the IAS model and in the EAS model, but structures with negative potential (of compressional type) are formed in the IAS model only. 2) The intervals of various plasma parameters (velocities of ion and electron beams, temperatures, densities of the plasma components, ions' masses), for which the existence of IAS and EAS solitary waves and structures is possible, are calculated. 3) Further, the parameters of the electrostatic structures (wave amplitudes, scales along and perpendicular to the magnetic field, velocities) are estimated. 4) The application of the present numerical simulation for multi-component plasmas to various astrophysical systems under different physical conditions is discussed.

On propagation of axisymmetric waves in pressurized functionally graded elastomeric hollow cylinders

NASA Astrophysics Data System (ADS)

Wu, Bin; Su, Yipin; Liu, Dongying; Chen, Weiqiu; Zhang, Chuanzeng

2018-05-01

Soft materials can be designed with a functionally graded (FG) property for specific applications. Such material inhomogeneity can also be found in many soft biological tissues whose functionality is only partly understood to date. In this paper, we analyze the axisymmetric guided wave propagation in a pressurized FG elastomeric hollow cylinder. The cylinder is subjected to a combined action of axial pre-stretch and pressure difference applied to the inner and outer cylindrical surfaces. We consider both torsional waves and longitudinal waves propagating in the FG cylinder made of incompressible isotropic elastomer, which is characterized by the Mooney-Rivlin strain energy function but with the material parameters varying with the radial coordinate in an affine way. The pressure difference generates an inhomogeneous deformation field in the FG cylinder, which dramatically complicates the superimposed wave problem described by the small-on-large theory. A particularly efficient approach is hence employed which combines the state-space formalism for the incremental wave motion with the approximate laminate or multi-layer technique. Dispersion relations for the two types of axisymmetric guided waves are then derived analytically. The accuracy and convergence of the proposed approach is validated numerically. The effects of the pressure difference, material gradient, and axial pre-stretch on both the torsional and the longitudinal wave propagation characteristics are discussed in detail through numerical examples. It is found that the frequency of axisymmetric waves depends nonlinearly on the pressure difference and the material gradient, and an increase in the material gradient enhances the capability of the pressure difference to adjust the wave behavior in the FG cylinder. This work provides a theoretical guidance for characterizing FG soft materials by in-situ ultrasonic nondestructive evaluation and for designing tunable waveguides via material tailoring along

Characteristics of coronal shock waves and solar type 2 radio bursts

NASA Technical Reports Server (NTRS)

Mann, G.; Classen, H.-T.

1995-01-01

In the solar corona shock waves generated by flares and/or coronal mass ejections can be observed by radio astronomical methods in terms of solar type 2 radio bursts. In dynamic radio spectra they appear as emission stripes slowly drifting from high to low frequencies. A sample of 25 solar type 2 radio bursts observed in the range of 40 - 170 MHz with a time resolution of 0.1 s by the new radiospectrograph of the Astrophvsikalisches Institut Potsdam in Tremsdorf is statistically investigated concerning their spectral features, i.e, drift rate, instantaneous bandwidth, and fundamental harmonic ratio. In-situ plasma wave measurements at interplanetary shocks provide the assumption that type 2 radio radiation is emitted in the vicinity of the transition region of shock waves. Thus, the instantaneous bandwidth of a solar type 2 radio burst would reflect the density jump across the associated shock wave. Comparing the inspection of the Rankine-Hugoniot relations of shock waves under coronal circumstances with those obtained from the observational study, solar type 2 radio bursts should be regarded to be generated by weak supercritical, quasi-parallel, fast magnetosonic shock waves in the corona.

Wave interactions with multiple semi-immersed Jarlan-type perforated breakwaters

NASA Astrophysics Data System (ADS)

Elbisy, Moussa S.

2017-06-01

This study examines wave interactions with multiple semi-immersed Jarlan-type perforated breakwaters. A numerical model based on linear wave theory and an eigenfunction expansion method has been developed to study the hydrodynamic characteristics of breakwaters. The numerical results show a good agreement with previous analytical results and experimental data for limiting cases of double partially immersed impermeable walls and double and triple Jarlan-type breakwaters. The wave transmission coefficient C T; reflection coefficient C R, and energy dissipation coefficient C E coefficients and the horizontal wave force exerted on the front and rear walls are examined. The results show that C R reaches the maximum value when B/L = 0.46 n while it is smallest when B/L=0.46 n+0.24 ( n=0, 1, 2,...). An economical triple semi-immersed Jarlan-type perforated breakwater can be designed with B/L = 0.25 and C R and C T ranging from 0.25 to 0.32 by choosing a relative draft d/h of 0.35 and a permeability parameter of the perforated front walls being 0.5 for an incident wave number kh nearly equal to 2.0. The triple semi-immersed Jarlan-type perforated breakwaters with significantly reduced C R, will enhance the structure's wave absorption ability, and lead to smaller wave forces compared with the double one. The proposed model may be used to predict the response of a structure in the preliminary design stage for practical engineering.

On irregular singularity wave functions and superconformal indices

NASA Astrophysics Data System (ADS)

Buican, Matthew; Nishinaka, Takahiro

2017-09-01

We generalize, in a manifestly Weyl-invariant way, our previous expressions for irregular singularity wave functions in two-dimensional SU(2) q-deformed Yang-Mills theory to SU( N). As an application, we give closed-form expressions for the Schur indices of all ( A N - 1 , A N ( n - 1)-1) Argyres-Douglas (AD) superconformal field theories (SCFTs), thus completing the computation of these quantities for the ( A N , A M ) SCFTs. With minimal effort, our wave functions also give new Schur indices of various infinite sets of "Type IV" AD theories. We explore the discrete symmetries of these indices and also show how highly intricate renormalization group (RG) flows from isolated theories and conformal manifolds in the ultraviolet to isolated theories and (products of) conformal manifolds in the infrared are encoded in these indices. We compare our flows with dimensionally reduced flows via a simple "monopole vev RG" formalism. Finally, since our expressions are given in terms of concise Lie algebra data, we speculate on extensions of our results that might be useful for probing the existence of hypothetical SCFTs based on other Lie algebras. We conclude with a discussion of some open problems.

Generalization of the Euler-type solution to the wave equation

NASA Astrophysics Data System (ADS)

Borisov, Victor V.

2001-08-01

Generalization of the Euler-type solution to the wave equation is given. Peculiarities of the space-time structure of obtained waves are considered. For some particular cases interpretation of these waves as `subliminal' and `superluminal' is discussed. The possibility of description of electromagnetic waves by means of the scalar solutions is shown.

Optimization of bottom-hinged flap-type wave energy converter for a specific wave rose

NASA Astrophysics Data System (ADS)

Behzad, Hamed; Panahi, Roozbeh

2017-06-01

In this paper, we conducted a numerical analysis on the bottom-hinged flap-type Wave Energy Convertor (WEC). The basic model, implemented through the study using ANSYS-AQWA, has been validated by a three-dimensional physical model of a pitching vertical cylinder. Then, a systematic parametric assessment has been performed on stiffness, damping, and WEC direction against an incoming wave rose, resulting in an optimized flap-type WEC for a specific spot in the Persian Gulf. Here, stiffness is tuned to have a near-resonance condition considering the wave rose, while damping is modified to capture the highest energy for each device direction. Moreover, such sets of specifications have been checked at different directions to present the best combination of stiffness, damping, and device heading. It has been shown that for a real condition, including different wave heights, periods, and directions, it is very important to implement the methodology introduced here to guarantee device performance.

Study of the low energy spectrum of titanium by using QMC methods

NASA Astrophysics Data System (ADS)

Buendía, E.; Caballero, M. A.; Gálvez, F. J.

2018-02-01

We study the ground state and the low energy excited states of Ti. Each variational wave function is a product of a Jastrow correlation factor by a model function obtained within the parameterized optimized effective potential (POEP) framework by using a configuration mixing. Near degeneracy effects between the orbitals 4s and 4p, as well as excitations to the 3d orbital due to the strong competition between 4s and 3d orbitals in transition metal atoms are taken into account. All electron calculations have been carried out by using quantum Monte Carlo techniques, variational and diffusion.

Wave function for harmonically confined electrons in time-dependent electric and magnetostatic fields.

PubMed

Zhu, Hong-Ming; Chen, Jin-Wang; Pan, Xiao-Yin; Sahni, Viraht

2014-01-14

We derive via the interaction "representation" the many-body wave function for harmonically confined electrons in the presence of a magnetostatic field and perturbed by a spatially homogeneous time-dependent electric field-the Generalized Kohn Theorem (GKT) wave function. In the absence of the harmonic confinement - the uniform electron gas - the GKT wave function reduces to the Kohn Theorem wave function. Without the magnetostatic field, the GKT wave function is the Harmonic Potential Theorem wave function. We further prove the validity of the connection between the GKT wave function derived and the system in an accelerated frame of reference. Finally, we provide examples of the application of the GKT wave function.

Effect of Forcing Function on Nonlinear Acoustic Standing Waves

NASA Technical Reports Server (NTRS)

Finkheiner, Joshua R.; Li, Xiao-Fan; Raman, Ganesh; Daniels, Chris; Steinetz, Bruce

2003-01-01

Nonlinear acoustic standing waves of high amplitude have been demonstrated by utilizing the effects of resonator shape to prevent the pressure waves from entering saturation. Experimentally, nonlinear acoustic standing waves have been generated by shaking an entire resonating cavity. While this promotes more efficient energy transfer than a piston-driven resonator, it also introduces complicated structural dynamics into the system. Experiments have shown that these dynamics result in resonator forcing functions comprised of a sum of several Fourier modes. However, previous numerical studies of the acoustics generated within the resonator assumed simple sinusoidal waves as the driving force. Using a previously developed numerical code, this paper demonstrates the effects of using a forcing function constructed with a series of harmonic sinusoidal waves on resonating cavities. From these results, a method will be demonstrated which allows the direct numerical analysis of experimentally generated nonlinear acoustic waves in resonators driven by harmonic forcing functions.

Large-scale transmission-type multifunctional anisotropic coding metasurfaces in millimeter-wave frequencies

NASA Astrophysics Data System (ADS)

Cui, Tie Jun; Wu, Rui Yuan; Wu, Wei; Shi, Chuan Bo; Li, Yun Bo

2017-10-01

We propose fast and accurate designs to large-scale and low-profile transmission-type anisotropic coding metasurfaces with multiple functions in the millimeter-wave frequencies based on the antenna-array method. The numerical simulation of an anisotropic coding metasurface with the size of 30λ × 30λ by the proposed method takes only 20 min, which however cannot be realized by commercial software due to huge memory usage in personal computers. To inspect the performance of coding metasurfaces in the millimeter-wave band, the working frequency is chosen as 60 GHz. Based on the convolution operations and holographic theory, the proposed multifunctional anisotropic coding metasurface exhibits different effects excited by y-polarized and x-polarized incidences. This study extends the frequency range of coding metasurfaces, filling the gap between microwave and terahertz bands, and implying promising applications in millimeter-wave communication and imaging.

Type IIB Colliding Plane Waves

NASA Astrophysics Data System (ADS)

Gutperle, M.; Pioline, B.

2003-09-01

Four-dimensional colliding plane wave (CPW) solutions have played an important role in understanding the classical non-linearities of Einstein's equations. In this note, we investigate CPW solutions in 2n+2-dimensional Einstein gravity with a n+1-form flux. By using an isomorphism with the four-dimensional problem, we construct exact solutions analogous to the Szekeres vacuum solution in four dimensions. The higher-dimensional versions of the Khan-Penrose and Bell-Szekeres CPW solutions are studied perturbatively in the vicinity of the light-cone. We find that under small perturbations, a curvature singularity is generically produced, leading to both space-like and time-like singularities. For n = 4, our results pertain to the collision of two ten-dimensional type-IIB Blau-Figueroa o'Farrill-Hull-Papadopoulos plane waves.

Parametric decay of current-driven Langmuir oscillations and wave packet formation in plateau plasmas: Relevance to type III bursts

NASA Astrophysics Data System (ADS)

Sauer, K.; Malaspina, D.; Pulupa, M.

2016-12-01

Instead of starting with an unstable electron beam, our focus is directed on the nonlinear response of Langmuir oscillations which are driven after beam stabilization by the still persisting current of the (stable) two-electron plasma. The velocity distribution function of the second population forms a plateau with weak damping over a more or less extended wave number range k. As shown by PIC simulations, this so-called plateau plasma drives primarily Langmuir oscillations at the plasma frequency ωe with k=0 over long times without remarkable change of the distribution function. The Langmuir oscillations, however, act as pump wave for parametric decay by which an electron-acoustic wave slightly below ωe and a counter-streaming ion-acoustic wave are generated. Both high-frequency waves have nearly the same amplitude which is simply given by the product of plateau density and velocity. Beating of these two wave types leads to pronounced Langmuir amplitude modulation, in good agreement with solar wind and foreshock WIND observations where waveforms and electron distribution functions have simultaneously been analyzed.

Type II Radio Bursts Observed by STEREO/Waves and Wind/Waves instruments

NASA Astrophysics Data System (ADS)

Krupar, V.; Magdalenic, J.; Zhukov, A.; Rodriguez, L.; Mierla, M.; Maksimovic, M.; Cecconi, B.; Santolik, O.

2013-12-01

Type II radio bursts are slow-drift emissions triggered by suprathermal electrons accelerated on shock fronts of propagating CMEs. We present several events at kilometric wavelengths observed by radio instruments onboard the STEREO and Wind spacecraft. The STEREO/Waves and Wind/Waves have goniopolarimetric (GP, also referred to as direction finding) capabilities that allow us to triangulate radio sources when an emission is observed by two or more spacecraft. As the GP inversion has high requirements on the signal-to-noise ratio we only have a few type II radio bursts with sufficient intensity for this analysis. We have compared obtained radio sources with white-light observations of STEREO/COR and STEREO/HI instruments. Our preliminary results indicate that radio sources are located at flanks of propagating CMEs.

General Forms of Wave Functions for Dipositronium, Ps2

NASA Technical Reports Server (NTRS)

Schrader, D.M.

2007-01-01

The consequences of particle interchange symmetry for the structure of wave functions of the states of dipositronium was recently discussed by the author [I]. In the present work, the methodology is simply explained, and the wave functions are explicitly given.

Coherent molecular transistor: control through variation of the gate wave function.

PubMed

Ernzerhof, Matthias

2014-03-21

In quantum interference transistors (QUITs), the current through the device is controlled by variation of the gate component of the wave function that interferes with the wave function component joining the source and the sink. Initially, mesoscopic QUITs have been studied and more recently, QUITs at the molecular scale have been proposed and implemented. Typically, in these devices the gate lead is subjected to externally adjustable physical parameters that permit interference control through modifications of the gate wave function. Here, we present an alternative model of a molecular QUIT in which the gate wave function is directly considered as a variable and the transistor operation is discussed in terms of this variable. This implies that we specify the gate current as well as the phase of the gate wave function component and calculate the resulting current through the source-sink channel. Thus, we extend on prior works that focus on the phase of the gate wave function component as a control parameter while having zero or certain discrete values of the current. We address a large class of systems, including finite graphene flakes, and obtain analytic solutions for how the gate wave function controls the transistor.

Convergent close coupling versus the generalized Sturmian function approach: Wave-function analysis

NASA Astrophysics Data System (ADS)

Ambrosio, M.; Mitnik, D. M.; Gasaneo, G.; Randazzo, J. M.; Kadyrov, A. S.; Fursa, D. V.; Bray, I.

2015-11-01

We compare the physical information contained in the Temkin-Poet (TP) scattering wave function representing electron-impact ionization of hydrogen, calculated by the convergent close-coupling (CCC) and generalized Sturmian function (GSF) methodologies. The idea is to show that the ionization cross section can be extracted from the wave functions themselves. Using two different procedures based on hyperspherical Sturmian functions we show that the transition amplitudes contained in both GSF and CCC scattering functions lead to similar single-differential cross sections. The single-continuum channels were also a subject of the present studies, and we show that the elastic and excitation amplitudes are essentially the same as well.

Phase Coupling in Langmuir Wave Packets: Evidence for Four Wave Interactions in Solar Type III Radio Bursts

NASA Technical Reports Server (NTRS)

Thejappa, G.; MacDowall, R. J.; Bergamo, M.

2012-01-01

The four wave interaction process, known as the oscillating two stream instability (OTSI) is considered as one of the mechanisms responsible for stabilizing the electron beams associated with solar type III radio bursts. It has been reported that (1) an intense localized Langmuir wave packet associated with a type III burst contains the spectral characteristics of the OTSI: (a) a resonant peak at the local electron plasma frequency, f(sub pe), (b) a Stokes peak at a frequency slightly lower than f(sub pe), (c) anti-Stokes peak at a frequency slightly higher than f(sub pe), and (d) a low frequency enhancement below a few hundred Hz, (2) the frequencies and wave numbers of these spectral components satisfy the resonance conditions of the OTSI, and (3) the peak intensity of the wave packet is well above the thresholds for the OTSI as well as spatial collapse of envelope solitons. Here, for the first time, applying the trispectral analysis on this wave packet, we show that the tricoherence, which measures the degree of coherent four-wave coupling amongst the observed spectral components exhibits a peak. This provides an additional evidence for the OTSI and related spatial collapse of Langmuir envelope solitons in type III burst sources.

Entropic Origin of Pseudogap Physics and a Mott-Slater Transition in Cuprates

DOE PAGES

Markiewicz, R. S.; Buda, I. G.; Mistark, P.; ...

2017-03-22

Here, we propose a new approach to understand the origin of the pseudogap in the cuprates, in terms of bosonic entropy. The near-simultaneous softening of a large number of different q-bosons yields an extended range of short-range order, wherein the growth of magnetic correlations with decreasing temperature T is anomalously slow. These entropic effects cause the spectral weight associated with the Van Hove singularity (VHS) to shift rapidly and nearly linearly toward half filling at higher T, consistent with a picture of the VHS driving the pseudogap transition at a temperature ~T*. As a byproduct, we develop an order-parameter classificationmore » scheme that predicts supertransitions between families of order parameters. As one example, we find that by tuning the hopping parameters, it is possible to drive the cuprates across a transition between Mott and Slater physics, where a spin-frustrated state emerges at the crossover.« less

Software-type Wave-Particle Interaction Analyzer on board the ARASE satellite

NASA Astrophysics Data System (ADS)

Katoh, Y.; Kojima, H.; Hikishima, M.; Takashima, T.; Asamura, K.; Miyoshi, Y.; Kasahara, Y.; Kasahara, S.; Mitani, T.; Higashio, N.; Matsuoka, A.; Ozaki, M.; Yagitani, S.; Yokota, S.; Matsuda, S.; Kitahara, M.; Shinohara, I.

2017-12-01

Wave-Particle Interaction Analyzer (WPIA) is a new type of instrumentation recently proposed by Fukuhara et al. (2009) for direct and quantitative measurements of wave-particle interactions. WPIA computes an inner product W(ti) = qE(ti)·vi, where ti is the detection timing of the i-th particle, E(ti) is the wave electric field vector at ti, and q and vi is the charge and the velocity vector of the i-th particle, respectively. Since W(ti) is the gain or the loss of the kinetic energy of the i-th particle, by accumulating W for detected particles, we obtain the net amount of the energy exchange in the region of interest. Software-type WPIA (S-WPIA) is installed in the ARASE satellite as a software function running on the mission data processor. S-WPIA on board the ARASE satellite uses electromagnetic field waveform measured by Waveform Capture (WFC) of Plasma Wave Experiment (PWE) and velocity vectors detected by Medium-Energy Particle Experiments - Electron Analyzer (MEP-e), High-Energy Electron Experiments (HEP), and Extremely High-Energy Electron Experiment (XEP). The prime target of S-WPIA is the measurement of the energy exchange between whistler-mode chorus emissions and energetic electrons in the inner magnetosphere. It is essential for S-WPIA to synchronize instruments in the time resolution better than the time scale of wave-particle interactions. Since the typical frequency of chorus emissions is a few kHz in the inner magnetosphere, the time resolution better than 10 micro-sec should be realized so as to measure the relative phase angle between wave and velocity vectors with the accuracy enough to detect the sign of W correctly. In the ARASE satellite, a dedicated system has been developed in order to realize the required time resolution for the inter-instruments communications. In this presentation, we show the principle of the WPIA and its significance as well as the implementation of S-WPIA on the ARASE satellite.

Typhoon generated surface gravity waves measured by NOMAD-type buoys

NASA Astrophysics Data System (ADS)

Collins, Clarence O., III

This study examines wind-generated ocean surface waves as measured by NOMAD-type buoys during the ONR-sponsored Impact of Typhoons on the Ocean in the Pacific (ITOP) field experiment in 2010. 1-D measurements from two new Extreme Air-Sea Interaction (EASI) NOMAD-type buoys were validated against measurements from established Air-Sea Interaction Spar (ASIS) buoys. Also, during ITOP, 3 drifting Miniature Wave Buoys, a wave measuring marine radar on the R/V Roger Revelle, and several overpasses of JASON-1 (C- and Ku-band) and -2 (Ku-band) satellite altimeters were within 100 km of either EASI buoy. These additional measurements were compared against both EASI buoys. Findings are in line with previous wave parameter inter-comparisons. A corroborated measurement of mean wave direction and direction at the peak of the spectrum from the EASI buoy is presented. Consequently, this study is the first published account of directional wave information which has been successfully gathered from a buoy with a 6 m NOMAD-type hull. This result may be applied to improve operational coverage of wave direction. In addition, details for giving a consistent estimate of sea surface elevation from buoys using strapped down accelerometers are given. This was found to be particularly important for accurate measurement of extreme waves. These technical studies established a high level of confidence in the ITOP wave measurements. Detailed frequency-direction spectra were analyzed. Structures in the wave field were described during the close passages of 4 major tropical cyclones (TC) including: severe tropical storm Dianmu, Typhoon Fanapi, Super Typhoon Megi, and Typhoon Chaba. In addition, significant swell was measured from a distant 5th TC, Typhoon Malakas. Changes in storm direction and intensity are found to have a profound impact on the wave field. Measurements of extreme waves were explored. More extreme waves were measured during TCs which coincided with times of increased wave

Electron-positron interaction in jellium

NASA Astrophysics Data System (ADS)

Stachowiak, Henryk

1990-06-01

The problem of a positron in jellium is solved in an approach involving self-consistent perturbation of a Jastrow-type state. The merits of this approach are the following: (1) The one-electron wave functions are allowed to be nonorthogonal, (2) the formalism is indifferent with regard to uti- lizing the Pauli exclusion principle, and (3) numerical calculations are shorter by a factor of the order of 100 in comparison with other theories. The first two points are of special importance in view of the difficulties encountered both by the Kahana formalism and the approach of Lowy and Jackson. The screening cloud obtained in this work reproduces quite well the recent results of Rubaszek and Stachowiak, as do the partial annihilation rates. A comparison with the results of other theories and with experiment is also made.

Field patterns: A new type of wave with infinitely degenerate band structure

NASA Astrophysics Data System (ADS)

Mattei, Ornella; Milton, Graeme W.

2017-12-01

Field pattern materials (FP-materials) are space-time composites with PT-symmetry in which the one-dimensional-spatial distribution of the constituents changes in time in such a special manner to give rise to a new type of waves, which we call field pattern waves (FP-waves) (MILTON G. W. and MATTEI O., Proc. R. Soc. A, 473 (2017) 20160819; MATTEI O. and MILTON G. W., New J. Phys., 19 (2017) 093022). Specifically, due to the special periodic space-time geometry of these materials, when an instantaneous disturbance propagates through the system, the branching of the characteristic lines at the space-time interfaces between phases does not lead to a chaotic cascade of disturbances but concentrates on an orderly pattern of disturbances: this is the field pattern. In this letter, by applying Bloch-Floquet theory, we show that the dispersion diagrams associated with these FP-materials are infinitely degenerate: associated with each point on the dispersion diagram is an infinite space of Bloch functions. Each generalized function is concentrated on a specific field pattern, each parameterized by a variable that we call the launch parameter. The dynamics separates into independent dynamics on the different field patterns, each with the same dispersion relation.

Simulation of wind wave growth with reference source functions

NASA Astrophysics Data System (ADS)

Badulin, Sergei I.; Zakharov, Vladimir E.; Pushkarev, Andrei N.

2013-04-01

We present results of extensive simulations of wind wave growth with the so-called reference source function in the right-hand side of the Hasselmann equation written as follows First, we use Webb's algorithm [8] for calculating the exact nonlinear transfer function Snl. Second, we consider a family of wind input functions in accordance with recent consideration [9] ( )s S = ?(k)N , ?(k) = ? ? ?- f (?). in k 0 ?0 in (2) Function fin(?) describes dependence on angle ?. Parameters in (2) are tunable and determine magnitude (parameters ?0, ?0) and wave growth rate s [9]. Exponent s plays a key role in this study being responsible for reference scenarios of wave growth: s = 4-3 gives linear growth of wave momentum, s = 2 - linear growth of wave energy and s = 8-3 - constant rate of wave action growth. Note, the values are close to ones of conventional parameterizations of wave growth rates (e.g. s = 1 for [7] and s = 2 for [5]). Dissipation function Sdiss is chosen as one providing the Phillips spectrum E(?) ~ ?5 at high frequency range [3] (parameter ?diss fixes a dissipation scale of wind waves) Sdiss = Cdissμ4w?N (k)θ(? - ?diss) (3) Here frequency-dependent wave steepness μ2w = E(?,?)?5-g2 makes this function to be heavily nonlinear and provides a remarkable property of stationary solutions at high frequencies: the dissipation coefficient Cdiss should keep certain value to provide the observed power-law tails close to the Phillips spectrum E(?) ~ ?-5. Our recent estimates [3] give Cdiss ? 2.0. The Hasselmann equation (1) with the new functions Sin, Sdiss (2,3) has a family of self-similar solutions of the same form as previously studied models [1,3,9] and proposes a solid basis for further theoretical and numerical study of wave evolution under action of all the physical mechanisms: wind input, wave dissipation and nonlinear transfer. Simulations of duration- and fetch-limited wind wave growth have been carried out within the above model setup to check its

On the generation of magnetohydrodynamic waves in a stratified and magnetized fluid. II - Magnetohydrodynamic energy fluxes for late-type stars

NASA Technical Reports Server (NTRS)

Musielak, Z. E.; Rosner, R.

1988-01-01

Magnetohydrodynamic (MHD) wave energy fluxes for late-type stars are calculated, using previously obtained formulae for the source functions for the generation of MHD waves in a stratified, but otherwise uniform, turbulent atmosphere; the magnetic fields in the wave generation region are assumed to be homogeneous. In contradiction to previous results, it is shown that in this uniform magnetic field case there is no significant increase in the efficiency of MHD wave generation, at least within the theory's limits of applicability. The major results are that the MHD energy fluxes calculated for late-type stars are less than those obtained for compressible modes in the magnetic field-free case, and that these MHD energy fluxes do not vary enough for a given spectral type to explain the observed range of UV and X-ray fluxes from such stars. It is therefore concluded that MHD waves in stellar atmospheres with homogeneous magnetic fields in the wave generation region cannot explain the observed stellar coronal emissions; if such MHD waves are responsible for a significant component of stellar coronal heating, then nonuniform fields within the generation region must be appealed to.

Four-body correlation embedded in antisymmetrized geminal power wave function.

PubMed

Kawasaki, Airi; Sugino, Osamu

2016-12-28

We extend the Coleman's antisymmetrized geminal power (AGP) to develop a wave function theory that can incorporate up to four-body correlation in a region of strong correlation. To facilitate the variational determination of the wave function, the total energy is rewritten in terms of the traces of geminals. This novel trace formula is applied to a simple model system consisting of one dimensional Hubbard ring with a site of strong correlation. Our scheme significantly improves the result obtained by the AGP-configuration interaction scheme of Uemura et al. and also achieves more efficient compression of the degrees of freedom of the wave function. We regard the result as a step toward a first-principles wave function theory for a strongly correlated point defect or adsorbate embedded in an AGP-based mean-field medium.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk; Cohen, R. E.

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimalmore » VMC and DMC binding energies of −2.3(4) and −2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is −2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.« less

Chemical accuracy from quantum Monte Carlo for the benzene dimer.

PubMed

Azadi, Sam; Cohen, R E

2015-09-14

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is -2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.

Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4](2-) molecules: Some insights from wave function theory.

PubMed

Giner, Emmanuel; Angeli, Celestino

2015-09-28

The aim of this paper is to unravel the physical phenomena involved in the calculation of the spin density of the CuCl2 and [CuCl4](2-) systems using wave function methods. Various types of wave functions are used here, both variational and perturbative, to analyse the effects impacting the spin density. It is found that the spin density on the chlorine ligands strongly depends on the mixing between two types of valence bond structures. It is demonstrated that the main difficulties found in most of the previous studies based on wave function methods come from the fact that each valence bond structure requires a different set of molecular orbitals and that using a unique set of molecular orbitals in a variational procedure leads to the removal of one of them from the wave function. Starting from these results, a method to compute the spin density at a reasonable computational cost is proposed.

Slater-Koster Tight-Binding parametrization of single and few-layer Black-Phosphorus from first-principles calculations

NASA Astrophysics Data System (ADS)

Menezes, Marcos; Capaz, Rodrigo

Black Phosphorus (BP) is a promising material for applications in electronics, especially due to the tuning of its band gap by increasing the number of layers. In single-layer BP, also called Phosphorene, the P atoms form two staggered chains bonded by sp3 hybridization, while neighboring layers are bonded by Van-der-Waals interactions. In this work, we present a Tight-Binding (TB) parametrization of the electronic structure of single and few-layer BP, based on the Slater-Koster model within the two-center approximation. Our model includes all 3s and 3p orbitals, which makes this problem more complex than that of graphene, where only 2pz orbitals are needed for most purposes. The TB parameters are obtained from a least-squares fit of DFT calculations carried on the SIESTA code. We compare the results for different basis-sets used to expand the ab-initio wavefunctions and discuss their applicability. Our model can fit a larger number of bands than previously reported calculations based on Wannier functions. Moreover, our parameters have a clear physical interpretation based on chemical bonding. As such, we expect our results to be useful in a further understanding of multilayer BP and other 2D-materials characterized by strong sp3 hybridization. CNPq, FAPERJ, INCT-Nanomateriais de Carbono.

New trial wave function for the nuclear cluster structure of nuclei

NASA Astrophysics Data System (ADS)

Zhou, Bo

2018-04-01

A new trial wave function is proposed for nuclear cluster physics, in which an exact solution to the long-standing center-of-mass problem is given. In the new approach, the widths of the single-nucleon Gaussian wave packets and the widths of the relative Gaussian wave functions describing correlations of nucleons or clusters are treated as variables in the explicit intrinsic wave function of the nuclear system. As an example, this new wave function was applied to study the typical {^{20}Ne} (α+{{^{16}}O}) cluster system. By removing exactly the spurious center-of-mass effect in a very simple way, the energy curve of {^{20}Ne} was obtained by variational calculations with the width of the α cluster, the width of the {{^{16}}O} cluster, and the size parameter of the nucleus. These are considered the three crucial variational variables in describing the {^{20}Ne} (α+{{^{16}}O}) cluster system. This shows that the new wave function can be a very interesting new tool for studying many-body and cluster effects in nuclear physics.

Functional Neuroimaging of Spike-Wave Seizures

PubMed Central

Motelow, Joshua E.; Blumenfeld, Hal

2013-01-01

Generalized spike-wave seizures are typically brief events associated with dynamic changes in brain physiology, metabolism, and behavior. Functional magnetic resonance imaging (fMRI) provides a relatively high spatio-temporal resolution method for imaging cortical-subcortical network activity during spike-wave seizures. Patients with spike-wave seizures often have episodes of staring and unresponsiveness which interfere with normal behavior. Results from human fMRI studies suggest that spike-wave seizures disrupt specific networks in the thalamus and fronto-parietal association cortex which are critical for normal attentive consciousness. However, the neuronal activity underlying imaging changes seen during fMRI is not well understood, particularly in abnormal conditions such as seizures. Animal models have begun to provide important fundamental insights into the neuronal basis for fMRI changes during spike-wave activity. Work from these models including both fMRI and direct neuronal recordings suggest that, like in humans, specific cortical-subcortical networks are involved in spike-wave, while other regions are spared. Regions showing fMRI increases demonstrate correlated increases in neuronal activity in animal models. The mechanisms of fMRI decreases in spike-wave will require further investigation. A better understanding of the specific brain regions involved in generating spike-wave seizures may help guide efforts to develop targeted therapies aimed at preventing or reversing abnormal excitability in these brain regions, ultimately leading to a cure for this disorder. PMID:18839093

Derivative expansion of wave function equivalent potentials

NASA Astrophysics Data System (ADS)

Sugiura, Takuya; Ishii, Noriyoshi; Oka, Makoto

2017-04-01

Properties of the wave function equivalent potentials introduced by the HAL QCD collaboration are studied in a nonrelativistic coupled-channel model. The derivative expansion is generalized, and then applied to the energy-independent and nonlocal potentials. The expansion coefficients are determined from analytic solutions to the Nambu-Bethe-Salpeter wave functions. The scattering phase shifts computed from these potentials are compared with the exact values to examine the convergence of the expansion. It is confirmed that the generalized derivative expansion converges in terms of the scattering phase shift rather than the functional structure of the non-local potentials. It is also found that the convergence can be improved by tuning either the choice of interpolating fields or expansion scale in the generalized derivative expansion.

Parametric dependence of ocean wave-radar modulation transfer functions

NASA Technical Reports Server (NTRS)

Plant, W. J.; Keller, W. C.; Cross, A.

1983-01-01

Microwave techniques at X and L band were used to determine the dependence of ocean-wave radar modulation transfer functions (MTFs) on various environmental and radar parameters during the Marine Remote Sensing experiment of 1979 (MARSEN 79). These MIF are presented, as are coherence functions between the AM and FM parts of the backscattered microwave signal. It is shown that they both depend on several of these parameters. Besides confirming many of the properties of transfer functions reported by previous authors, indications are found that MTFs decrease with increasing angle between wave propagation and antenna-look directions but are essentially independent of small changes in air-sea temperature difference. However, coherence functions are much smaller when the antennas are pointed perpendicular to long waves. It is found that X band transfer functions measured with horizontally polarized microwave radiation have larger magnitudes than those obtained by using vertical polarization.

Degenerate RS perturbation theory. [Rayleigh-Schroedinger energies and wave functions

NASA Technical Reports Server (NTRS)

Hirschfelder, J. O.; Certain, P. R.

1974-01-01

A concise, systematic procedure is given for determining the Rayleigh-Schroedinger energies and wave functions of degenerate states to arbitrarily high orders even when the degeneracies of the various states are resolved in arbitrary orders. The procedure is expressed in terms of an iterative cycle in which the energy through the (2n + 1)-th order is expressed in terms of the partially determined wave function through the n-th order. Both a direct and an operator derivation are given. The two approaches are equivalent and can be transcribed into each other. The direct approach deals with the wave functions (without the use of formal operators) and has the advantage that it resembles the usual treatment of nondegenerate perturbations and maintains close contact with the basic physics. In the operator approach, the wave functions are expressed in terms of infinite-order operators which are determined by the successive resolution of the space of the zeroth-order functions.

Software-type Wave-Particle Interaction Analyzer on board the Arase satellite

NASA Astrophysics Data System (ADS)

Katoh, Yuto; Kojima, Hirotsugu; Hikishima, Mitsuru; Takashima, Takeshi; Asamura, Kazushi; Miyoshi, Yoshizumi; Kasahara, Yoshiya; Kasahara, Satoshi; Mitani, Takefumi; Higashio, Nana; Matsuoka, Ayako; Ozaki, Mitsunori; Yagitani, Satoshi; Yokota, Shoichiro; Matsuda, Shoya; Kitahara, Masahiro; Shinohara, Iku

2018-01-01

We describe the principles of the Wave-Particle Interaction Analyzer (WPIA) and the implementation of the Software-type WPIA (S-WPIA) on the Arase satellite. The WPIA is a new type of instrument for the direct and quantitative measurement of wave-particle interactions. The S-WPIA is installed on the Arase satellite as a software function running on the mission data processor. The S-WPIA on board the Arase satellite uses an electromagnetic field waveform that is measured by the waveform capture receiver of the plasma wave experiment (PWE), and the velocity vectors of electrons detected by the medium-energy particle experiment-electron analyzer (MEP-e), the high-energy electron experiment (HEP), and the extremely high-energy electron experiment (XEP). The prime objective of the S-WPIA is to measure the energy exchange between whistler-mode chorus emissions and energetic electrons in the inner magnetosphere. It is essential for the S-WPIA to synchronize instruments to a relative time accuracy better than the time period of the plasma wave oscillations. Since the typical frequency of chorus emissions in the inner magnetosphere is a few kHz, a relative time accuracy of better than 10 μs is required in order to measure the relative phase angle between the wave and velocity vectors. In the Arase satellite, a dedicated system has been developed to realize the time resolution required for inter-instrument communication. Here, both the time index distributed over all instruments through the satellite system and an S-WPIA clock signal are used, that are distributed from the PWE to the MEP-e, HEP, and XEP through a direct line, for the synchronization of instruments within a relative time accuracy of a few μs. We also estimate the number of particles required to obtain statistically significant results with the S-WPIA and the expected accumulation time by referring to the specifications of the MEP-e and assuming a count rate for each detector.

Slater revisited: 6 year follow up study of patients with medically unexplained motor symptoms.

PubMed

Crimlisk, H L; Bhatia, K; Cope, H; David, A; Marsden, C D; Ron, M A

1998-02-21

To investigate psychiatric and neurological morbidity, diagnostic stability, and indicators of prognosis in patients previously identified as having medically unexplained motor symptoms. Follow up study. National Hospital for Neurology and Neurosurgery, London--a secondary and tertiary referral hospital for neurological disorders. 73 patients with medically unexplained motor symptoms admitted consecutively in 1989-91. 35 (48%) patients had absence of motor function (for example, hemiplegia) and 38 (52%) had abnormal motor activity (for example, tremor, dystonia, or ataxia). Neurological clinical diagnosis at face to face reassessment by a neurologist and a psychiatric diagnosis after a standardised assessment interview--the schedule for affective disorders and schizophrenia--conducted by a psychiatrist. Good follow up data were available for 64 subjects (88%). Only three subjects had new organic neurological disorders at follow up that fully or partly explained their previous symptoms. 44/59 (75%) subjects had had psychiatric disorders; in 33 (75%) patients, the psychiatric diagnosis coincided with their unexplained motor symptoms. 31/59 (45%) patients had a personality disorder. Three subjects had developed new psychiatric illnesses at follow up, but in only one did the diagnosis account for the previous motor symptoms. Resolution of physical symptoms was associated with short length of symptoms, comorbid psychiatric disorder, and a change in marital status during follow up. Unlike Slater's study of 1965, a low incidence of physical or psychiatric diagnoses which explained these patients' symptoms or disability was found. However, a high level of psychiatric comorbidity existed.

The SU(r)2 string functions as q-diagrams

NASA Astrophysics Data System (ADS)

Genish, Arel; Gepner, Doron

2016-06-01

A generalized Roger Ramanujan (GRR) type expression for the characters of A-type parafermions has been a long standing puzzle dating back to conjectures made regarding some of the characters in the 90s. Not long ago we have put forward such GRR type identities describing any of the level two ADE-type generalized parafermions characters at any rank. These characters are the string functions of simply laced Lie algebras at level two, as such, they are also of mathematical interest. In our last joint paper we presented the complete derivation for the D-type generalized parafermions characters identities. Here we generalize our previous discussion and prove the GRR type expressions for the characters of A-type generalized parafermions. To prove the A-type GRR conjecture we study further the q-diagrams, introduced in our last joint paper, and examine the diagrammatic interpretations of known identities among them Slater identities for the characters of the first minimal model, which is the Ising model, and the Bailey lemma.

Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo.

PubMed

McDaniel, T; D'Azevedo, E F; Li, Y W; Wong, K; Kent, P R C

2017-11-07

Within ab initio Quantum Monte Carlo simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunction. Each Monte Carlo step requires finding the determinant of a dense matrix. This is most commonly iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. The overall computational cost is, therefore, formally cubic in the number of electrons or matrix size. To improve the numerical efficiency of this procedure, we propose a novel multiple rank delayed update scheme. This strategy enables probability evaluation with an application of accepted moves to the matrices delayed until after a predetermined number of moves, K. The accepted events are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency via matrix-matrix operations instead of matrix-vector operations. This procedure does not change the underlying Monte Carlo sampling or its statistical efficiency. For calculations on large systems and algorithms such as diffusion Monte Carlo, where the acceptance ratio is high, order of magnitude improvements in the update time can be obtained on both multi-core central processing units and graphical processing units.

Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo

NASA Astrophysics Data System (ADS)

McDaniel, T.; D'Azevedo, E. F.; Li, Y. W.; Wong, K.; Kent, P. R. C.

2017-11-01

Within ab initio Quantum Monte Carlo simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunction. Each Monte Carlo step requires finding the determinant of a dense matrix. This is most commonly iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. The overall computational cost is, therefore, formally cubic in the number of electrons or matrix size. To improve the numerical efficiency of this procedure, we propose a novel multiple rank delayed update scheme. This strategy enables probability evaluation with an application of accepted moves to the matrices delayed until after a predetermined number of moves, K. The accepted events are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency via matrix-matrix operations instead of matrix-vector operations. This procedure does not change the underlying Monte Carlo sampling or its statistical efficiency. For calculations on large systems and algorithms such as diffusion Monte Carlo, where the acceptance ratio is high, order of magnitude improvements in the update time can be obtained on both multi-core central processing units and graphical processing units.

Lamb-type waves generated by a cylindrical bubble oscillating between two planar elastic walls

PubMed Central

Mekki-Berrada, F.; Thibault, P.; Marmottant, P.

2016-01-01

The volume oscillation of a cylindrical bubble in a microfluidic channel with planar elastic walls is studied. Analytical solutions are found for the bulk scattered wave propagating in the fluid gap and the surface waves of Lamb-type propagating at the fluid–solid interfaces. This type of surface wave has not yet been described theoretically. A dispersion equation for the Lamb-type waves is derived, which allows one to evaluate the wave speed for different values of the channel height h. It is shown that for h<λt, where λt is the wavelength of the transverse wave in the walls, the speed of the Lamb-type waves decreases with decreasing h, while for h on the order of or greater than λt, their speed tends to the Scholte wave speed. The solutions for the wave fields in the elastic walls and in the fluid are derived using the Hankel transforms. Numerical simulations are carried out to study the effect of the surface waves on the dynamics of a bubble confined between two elastic walls. It is shown that its resonance frequency can be up to 50% higher than the resonance frequency of a similar bubble confined between two rigid walls. PMID:27274695

Analysis of Oblique Wave Interaction with a Comb-Type Caisson Breakwater

NASA Astrophysics Data System (ADS)

Wang, Xinyu; Liu, Yong; Liang, Bingchen

2018-04-01

This study develops an analytical solution for oblique wave interaction with a comb-type caisson breakwater based on linear potential theory. The fluid domain is divided into inner and outer regions according to the geometrical shape of breakwater. By using periodic boundary condition and separation of variables, series solutions of velocity potentials in inner and outer regions are developed. Unknown expansion coefficients in series solutions are determined by matching velocity and pressure of continuous conditions on the interface between two regions. Then, hydrodynamic quantities involving reflection coefficients and wave forces acting on breakwater are estimated. Analytical solution is validated by a multi-domain boundary element method solution for the present problem. Diffusion reflection due to periodic variations in breakwater shape and corresponding surface elevations around the breakwater are analyzed. Numerical examples are also presented to examine effects of caisson parameters on total wave forces acting on caissons and total wave forces acting on side plates. Compared with a traditional vertical wall breakwater, the wave force acting on a suitably designed comb-type caisson breakwater can be significantly reduced. This study can give a better understanding of the hydrodynamic performance of comb-type caisson breakwaters.

Regression analysis and transfer function in estimating the parameters of central pulse waves from brachial pulse wave.

PubMed

Chai Rui; Li Si-Man; Xu Li-Sheng; Yao Yang; Hao Li-Ling

2017-07-01

This study mainly analyzed the parameters such as ascending branch slope (A_slope), dicrotic notch height (Hn), diastolic area (Ad) and systolic area (As) diastolic blood pressure (DBP), systolic blood pressure (SBP), pulse pressure (PP), subendocardial viability ratio (SEVR), waveform parameter (k), stroke volume (SV), cardiac output (CO) and peripheral resistance (RS) of central pulse wave invasively and non-invasively measured. These parameters extracted from the central pulse wave invasively measured were compared with the parameters measured from the brachial pulse waves by a regression model and a transfer function model. The accuracy of the parameters which were estimated by the regression model and the transfer function model was compared too. Our findings showed that in addition to the k value, the above parameters of the central pulse wave and the brachial pulse wave invasively measured had positive correlation. Both the regression model parameters including A_slope, DBP, SEVR and the transfer function model parameters had good consistency with the parameters invasively measured, and they had the same effect of consistency. The regression equations of the three parameters were expressed by Y'=a+bx. The SBP, PP, SV, CO of central pulse wave could be calculated through the regression model, but their accuracies were worse than that of transfer function model.

Probability function of breaking-limited surface elevation. [wind generated waves of ocean

NASA Technical Reports Server (NTRS)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

Wave Function Engineering in CdSe/PbS Core/Shell Quantum Dots.

PubMed

Wieliczka, Brian M; Kaledin, Alexey L; Buhro, William E; Loomis, Richard A

2018-05-25

The synthesis of epitaxial CdSe/PbS core/shell quantum dots (QDs) is reported. The PbS shell grows in a rock salt structure on the zinc blende CdSe core, thereby creating a crystal structure mismatch through additive growth. Absorption and photoluminescence (PL) band edge features shift to lower energies with increasing shell thickness, but remain above the CdSe bulk band gap. Nevertheless, the profiles of the absorption spectra vary with shell growth, indicating that the overlap of the electron and hole wave functions is changing significantly. This leads to over an order of magnitude reduction of absorption near the band gap and a large, tunable energy shift, of up to 550 meV, between the onset of strong absorption and the band edge PL. While the bulk valence and conduction bands adopt an inverse type-I alignment, the observed spectroscopic behavior is consistent with a transition between quasi-type-I and quasi-type-II behavior depending on shell thickness. Three effective mass approximation models support this hypothesis and suggest that the large difference in effective masses between the core and shell results in hole localization in the CdSe core and a delocalization of the electron across the entire QD. These results show the tuning of wave functions and transition energies in CdSe/PbS nanoheterostructures with prospects for use in optoelectronic devices for luminescent solar concentration or multiexciton generation.

Actively tunable transverse waves in soft membrane-type acoustic metamaterials

NASA Astrophysics Data System (ADS)

Zhou, Weijian; Wu, Bin; Muhammad, Du, Qiujiao; Huang, Guoliang; Lü, Chaofeng; Chen, Weiqiu

2018-04-01

Membrane-type metamaterials have shown a fantastic capacity for manipulating acoustic waves in the low frequency range. They have the advantages of simple geometry, light weight, and active tunability. In general, these membrane-type metamaterials contain a rigid frame support, leading to a fixed configuration. However, in some instances, flexible and reconfigurable devices may be desirable. A soft membrane-type acoustic metamaterial that is highly flexible and controllable is designed here. Different from the previously designed membrane-type metamaterials, the stiff supporting frame is removed and the stiff mass at the center of each unit cell is replaced by the soft mass, realized by bonding fine metallic particles in the central region. In contrast to the previous studies, the propagation of elastic transverse waves in such a soft metamaterial is investigated by employing the plane wave expansion method. Both the Bragg scattering bandgaps and locally resonant bandgaps are found to coexist in the soft metamaterial. The influences of structural parameters and finite biaxial pre-stretch on the dynamic behavior of this soft metamaterial are carefully examined. It is shown that whether or not the wave propagation characteristics are sensitive to the finite deformation does not depend on the property and pre-stretch of the membrane. In addition, a broadband complete bandgap and a pseudo-gap formed by the combination of two extremely adjacent directional bandgaps are observed in the low-frequency range, and both can be controlled by the finite pre-stretch.

Irregular wave functions of a hydrogen atom in a uniform magnetic field

NASA Technical Reports Server (NTRS)

Wintgen, D.; Hoenig, A.

1989-01-01

The highly excited irregular wave functions of a hydrogen atom in a uniform magnetic field are investigated analytically, with wave function scarring by periodic orbits considered quantitatively. The results obtained confirm that the contributions of closed classical orbits to the spatial wave functions vanish in the semiclassical limit. Their disappearance, however, is slow. This discussion is illustrated by numerical examples.

Theoretical L-shell Coster-Kronig energies 11 or equal to z or equal to 103

NASA Technical Reports Server (NTRS)

Chen, M. H.; Crasemann, B.; Huang, K. N.; Aoyagi, M.; Mark, H.

1976-01-01

Relativistic relaxed-orbital calculations of L-shell Coster-Kronig transition energies have been performed for all possible transitions in atoms with atomic numbers. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order approximation to the local approximation was thus included. Quantum-electrodynamic corrections were made. Each transition energy was computed as the difference between results of separate self-consistent-field calculations for the initial, singly ionized state and the final two-hole state. The following quantities are listed: total transition energy, 'electric' (Dirac-Hartree-Fock-Slater) contribution, magnetic and retardation contributions, and contributions due to vacuum polarization and self energy.

Almost analytical Karhunen-Loeve representation of irregular waves based on the prolate spheroidal wave functions

NASA Astrophysics Data System (ADS)

Lee, Gibbeum; Cho, Yeunwoo

2017-11-01

We present an almost analytical new approach to solving the matrix eigenvalue problem or the integral equation in Karhunen-Loeve (K-L) representation of random data such as irregular ocean waves. Instead of solving this matrix eigenvalue problem purely numerically, which may suffer from the computational inaccuracy for big data, first, we consider a pair of integral and differential equations, which are related to the so-called prolate spheroidal wave functions (PSWF). For the PSWF differential equation, the pair of the eigenvectors (PSWF) and eigenvalues can be obtained from a relatively small number of analytical Legendre functions. Then, the eigenvalues in the PSWF integral equation are expressed in terms of functional values of the PSWF and the eigenvalues of the PSWF differential equation. Finally, the analytically expressed PSWFs and the eigenvalues in the PWSF integral equation are used to form the kernel matrix in the K-L integral equation for the representation of exemplary wave data; ordinary irregular waves and rogue waves. We found that the present almost analytical method is better than the conventional data-independent Fourier representation and, also, the conventional direct numerical K-L representation in terms of both accuracy and computational cost. This work was supported by the National Research Foundation of Korea (NRF). (NRF-2017R1D1A1B03028299).

Coupled Waves on a Periodically Supported Timoshenko Beam

NASA Astrophysics Data System (ADS)

HECKL, MARIA A.

2002-05-01

A mathematical model is presented for the propagation of structural waves on an infinitely long, periodically supported Timoshenko beam. The wave types that can exist on the beam are bending waves with displacements in the horizontal and vertical directions, compressional waves and torsional waves. These waves are affected by the periodic supports in two ways: their dispersion relation spectra show passing and stopping bands, and coupling of the different wave types tends to occur. The model in this paper could represent a railway track where the beam represents the rail and an appropriately chosen support type represents the pad/sleeper/ballast system of a railway track. Hamilton's principle is used to calculate the Green function matrix of the free Timoshenko beam without supports. The supports are incorporated into the model by combining the Green function matrix with the superposition principle. Bloch's theorem is applied to describe the periodicity of the supports. This leads to polynomials with several solutions for the Bloch wave number. These solutions are obtained numerically for different combinations of wave types. Two support types are examined in detail: mass supports and spring supports. More complex support types, such as mass/spring systems, can be incorporated easily into the model.

Response functions of free mass gravitational wave antennas

NASA Technical Reports Server (NTRS)

Estabrook, F. B.

1985-01-01

The work of Gursel, Linsay, Spero, Saulson, Whitcomb and Weiss (1984) on the response of a free-mass interferometric antenna is extended. Starting from first principles, the earlier work derived the response of a 2-arm gravitational wave antenna to plane polarized gravitational waves. Equivalent formulas (generalized slightly to allow for arbitrary elliptical polarization) are obtained by a simple differencing of the '3-pulse' Doppler response functions of two 1-arm antennas. A '4-pulse' response function is found, with quite complicated angular dependences for arbitrary incident polarization. The differencing method can as readily be used to write exact response functions ('3n+1 pulse') for antennas having multiple passes or more arms.

About Essence of the Wave Function on Atomic Level and in Superconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nikulov, A. V.

The wave function was proposed for description of quantum phenomena on the atomic level. But now it is well known that quantum phenomena are observed not only on atomic level and the wave function is used for description of macroscopic quantum phenomena, such as superconductivity. The essence of the wave function on level elementary particles was and is the subject of heated argument among founders of quantum mechanics and other physicists. This essence seems more clear in superconductor. But impossibility of probabilistic interpretation of wave function in this case results to obvious contradiction of quantum principles with some fundamental principlesmore » of physics.« less

Short time propagation of a singular wave function: Some surprising results

NASA Astrophysics Data System (ADS)

Marchewka, A.; Granot, E.; Schuss, Z.

2007-08-01

The Schrödinger evolution of an initially singular wave function was investigated. First it was shown that a wide range of physical problems can be described by initially singular wave function. Then it was demonstrated that outside the support of the initial wave function the time evolution is governed to leading order by the values of the wave function and its derivatives at the singular points. Short-time universality appears where it depends only on a single parameter—the value at the singular point (not even on its derivatives). It was also demonstrated that the short-time evolution in the presence of an absorptive potential is different than in the presence of a nonabsorptive one. Therefore, this dynamics can be harnessed to the determination whether a potential is absorptive or not simply by measuring only the transmitted particles density.

Matrix product state representation of quasielectron wave functions

NASA Astrophysics Data System (ADS)

Kjäll, J.; Ardonne, E.; Dwivedi, V.; Hermanns, M.; Hansson, T. H.

2018-05-01

Matrix product state techniques provide a very efficient way to numerically evaluate certain classes of quantum Hall wave functions that can be written as correlators in two-dimensional conformal field theories. Important examples are the Laughlin and Moore-Read ground states and their quasihole excitations. In this paper, we extend the matrix product state techniques to evaluate quasielectron wave functions, a more complex task because the corresponding conformal field theory operator is not local. We use our method to obtain density profiles for states with multiple quasielectrons and quasiholes, and to calculate the (mutual) statistical phases of the excitations with high precision. The wave functions we study are subject to a known difficulty: the position of a quasielectron depends on the presence of other quasiparticles, even when their separation is large compared to the magnetic length. Quasielectron wave functions constructed using the composite fermion picture, which are topologically equivalent to the quasielectrons we study, have the same problem. This flaw is serious in that it gives wrong results for the statistical phases obtained by braiding distant quasiparticles. We analyze this problem in detail and show that it originates from an incomplete screening of the topological charges, which invalidates the plasma analogy. We demonstrate that this can be remedied in the case when the separation between the quasiparticles is large, which allows us to obtain the correct statistical phases. Finally, we propose that a modification of the Laughlin state, that allows for local quasielectron operators, should have good topological properties for arbitrary configurations of excitations.

Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo

DOE PAGES

McDaniel, Tyler; D’Azevedo, Ed F.; Li, Ying Wai; ...

2017-11-07

Within ab initio Quantum Monte Carlo simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunction. Each Monte Carlo step requires finding the determinant of a dense matrix. This is most commonly iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. The overall computational cost is therefore formally cubic in the number of electrons or matrix size. To improve the numerical efficiency of this procedure, we propose a novel multiple rank delayed update scheme. This strategy enables probability evaluation with applicationmore » of accepted moves to the matrices delayed until after a predetermined number of moves, K. The accepted events are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency via matrix-matrix operations instead of matrix-vector operations. Here this procedure does not change the underlying Monte Carlo sampling or its statistical efficiency. For calculations on large systems and algorithms such as diffusion Monte Carlo where the acceptance ratio is high, order of magnitude improvements in the update time can be obtained on both multi- core CPUs and GPUs.« less

Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

McDaniel, Tyler; D’Azevedo, Ed F.; Li, Ying Wai

Within ab initio Quantum Monte Carlo simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunction. Each Monte Carlo step requires finding the determinant of a dense matrix. This is most commonly iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. The overall computational cost is therefore formally cubic in the number of electrons or matrix size. To improve the numerical efficiency of this procedure, we propose a novel multiple rank delayed update scheme. This strategy enables probability evaluation with applicationmore » of accepted moves to the matrices delayed until after a predetermined number of moves, K. The accepted events are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency via matrix-matrix operations instead of matrix-vector operations. Here this procedure does not change the underlying Monte Carlo sampling or its statistical efficiency. For calculations on large systems and algorithms such as diffusion Monte Carlo where the acceptance ratio is high, order of magnitude improvements in the update time can be obtained on both multi- core CPUs and GPUs.« less

Evolution of wave function in a dissipative system

NASA Technical Reports Server (NTRS)

Yu, Li-Hua; Sun, Chang-Pu

1994-01-01

For a dissipative system with Ohmic friction, we obtain a simple and exact solution for the wave function of the system plus the bath. It is described by the direct product in two independent Hilbert space. One of them is described by an effective Hamiltonian, the other represents the effect of the bath, i.e., the Brownian motion, thus clarifying the structure of the wave function of the system whose energy is dissipated by its interaction with the bath. No path integral technology is needed in this treatment. The derivation of the Weisskopf-Wigner line width theory follows easily.

Longitudinal wave function control in single quantum dots with an applied magnetic field

PubMed Central

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A.; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-01

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots. PMID:25624018

Longitudinal wave function control in single quantum dots with an applied magnetic field.

PubMed

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-27

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots.

Wave drag as the objective function in transonic fighter wing optimization

NASA Technical Reports Server (NTRS)

Phillips, P. S.

1984-01-01

The original computational method for determining wave drag in a three dimensional transonic analysis method was replaced by a wave drag formula based on the loss in momentum across an isentropic shock. This formula was used as the objective function in a numerical optimization procedure to reduce the wave drag of a fighter wing at transonic maneuver conditions. The optimization procedure minimized wave drag through modifications to the wing section contours defined by a wing profile shape function. A significant reduction in wave drag was achieved while maintaining a high lift coefficient. Comparisons of the pressure distributions for the initial and optimized wing geometries showed significant reductions in the leading-edge peaks and shock strength across the span.

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections

NASA Astrophysics Data System (ADS)

Meek, Garrett A.; Levine, Benjamin G.

2016-05-01

We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplings at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections.

PubMed

Meek, Garrett A; Levine, Benjamin G

2016-05-14

We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplings at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.

Refined applications of the collapse of the wave function

NASA Astrophysics Data System (ADS)

Stodolsky, L.

2015-05-01

In a two-part system, the collapse of the wave function of one part can put the other part in a state which would be difficult or impossible to achieve otherwise, in particular, one sensitive to small effects in the "collapse" interaction. We present some applications to the very symmetric and experimentally accessible situations of the decays ϕ (1020 )→KoKo , ψ (3770 )→DoDo, or ϒ (4 s )→BoBo , involving the internal state of the two-state Ko, Do, or Bo mesons. The collapse of the wave function occasioned by a decay of one member of the pair (away side) fixes the state vector of that side's two-state system. Bose-Einstein statistics then determines the state of the recoiling meson (near side), whose evolution can then be followed further. In particular, the statistics requirement dictates that the "away side" and "near side" internal wave functions must be orthogonal at the time of the collapse. Thus a C P violation in the away side decay implies a complementary C P impurity on the near side, which can be detected in the further evolution. The C P violation so manifested is necessarily direct C P violation, since neither the mass matrix nor time evolution was involved in the collapse. A parametrization of the direct C P violation is given, and various manifestations are presented. Certain rates or combination of rates are identified which are nonzero only if there is direct C P violation. The very explicit and detailed use made of the collapse of the wave function makes the procedure interesting with respect to the fundamentals of quantum mechanics. We note an experimental consistency test for our treatment of the collapse of the wave function, which can be carried out by a certain measurement of partial decay rates.

P wave dispersion and maximum P wave duration are independently associated with rapid renal function decline.

PubMed

Su, Ho-Ming; Tsai, Wei-Chung; Lin, Tsung-Hsien; Hsu, Po-Chao; Lee, Wen-Hsien; Lin, Ming-Yen; Chen, Szu-Chia; Lee, Chee-Siong; Voon, Wen-Chol; Lai, Wen-Ter; Sheu, Sheng-Hsiung

2012-01-01

The P wave parameters measured by 12-lead electrocardiogram (ECG) are commonly used as noninvasive tools to assess for left atrial enlargement. There are limited studies to evaluate whether P wave parameters are independently associated with decline in renal function. Accordingly, the aim of this study is to assess whether P wave parameters are independently associated with progression to renal end point of ≥25% decline in estimated glomerular filtration rate (eGFR). This longitudinal study included 166 patients. The renal end point was defined as ≥25% decline in eGFR. We measured two ECG P wave parameters corrected by heart rate, i.e. corrected P wave dispersion (PWdisperC) and corrected P wave maximum duration (PWdurMaxC). Heart function and structure were measured from echocardiography. Clinical data, P wave parameters, and echocardiographic measurements were compared and analyzed. Forty-three patients (25.9%) reached renal end point. Kaplan-Meier curves for renal end point-free survival showed PWdisperC > median (63.0 ms) (log-rank P = 0.004) and PWdurMaxC > median (117.9 ms) (log-rank P<0.001) were associated with progression to renal end point. Multivariate forward Cox-regression analysis identified increased PWdisperC (hazard ratio [HR], 1.024; P = 0.001) and PWdurMaxC (HR, 1.029; P = 0.001) were independently associated with progression to renal end point. Our results demonstrate that increased PWdisperC and PWdurMaxC were independently associated with progression to renal end point. Screening patients by means of PWdisperC and PWdurMaxC on 12 lead ECG may help identify a high risk group of rapid renal function decline.

Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

PubMed

García de la Vega, J M; Omar, S; San Fabián, J

2017-04-01

Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict 1 J O H , 2 J H H and 2h J O O couplings, while 1h J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for 1 J O H and 2 J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

Extended screened exchange functional derived from transcorrelated density functional theory.

PubMed

Umezawa, Naoto

2017-09-14

We propose a new formulation of the correlation energy functional derived from the transcorrelated method in use in density functional theory (TC-DFT). An effective Hamiltonian, H TC , is introduced by a similarity transformation of a many-body Hamiltonian, H, with respect to a complex function F: H TC =1FHF. It is proved that an expectation value of H TC for a normalized single Slater determinant, D n , corresponds to the total energy: E[n] = ⟨Ψ n |H|Ψ n ⟩/⟨Ψ n |Ψ n ⟩ = ⟨D n |H TC |D n ⟩ under the two assumptions: (1) The electron density nr associated with a trial wave function Ψ n = D n F is v-representable and (2) Ψ n and D n give rise to the same electron density nr. This formulation, therefore, provides an alternative expression of the total energy that is useful for the development of novel correlation energy functionals. By substituting a specific function for F, we successfully derived a model correlation energy functional, which resembles the functional form of the screened exchange method. The proposed functional, named the extended screened exchange (ESX) functional, is described within two-body integrals and is parametrized for a numerically exact correlation energy of the homogeneous electron gas. The ESX functional does not contain any ingredients of (semi-)local functionals and thus is totally free from self-interactions. The computational cost for solving the self-consistent-field equation is comparable to that of the Hartree-Fock method. We apply the ESX functional to electronic structure calculations for a solid silicon, H - ion, and small atoms. The results demonstrate that the TC-DFT formulation is promising for the systematic improvement of the correlation energy functional.

Wave functions of symmetry-protected topological phases from conformal field theories

NASA Astrophysics Data System (ADS)

Scaffidi, Thomas; Ringel, Zohar

2016-03-01

We propose a method for analyzing two-dimensional symmetry-protected topological (SPT) wave functions using a correspondence with conformal field theories (CFTs) and integrable lattice models. This method generalizes the CFT approach for the fractional quantum Hall effect wherein the wave-function amplitude is written as a many-operator correlator in the CFT. Adopting a bottom-up approach, we start from various known microscopic wave functions of SPTs with discrete symmetries and show how the CFT description emerges at large scale, thereby revealing a deep connection between group cocycles and critical, sometimes integrable, models. We show that the CFT describing the bulk wave function is often also the one describing the entanglement spectrum, but not always. Using a plasma analogy, we also prove the existence of hidden quasi-long-range order for a large class of SPTs. Finally, we show how response to symmetry fluxes is easily described in terms of the CFT.

Diagonal Born-Oppenheimer correction for coupled-cluster wave-functions

NASA Astrophysics Data System (ADS)

Shamasundar, K. R.

2018-06-01

We examine how geometry-dependent normalisation freedom of electronic wave-functions affects extraction of a meaningful diagonal Born-Oppenheimer correction (DBOC) to the ground-state Born-Oppenheimer potential energy surface (PES). By viewing this freedom as a kind of gauge-freedom, it is shown that DBOC and the resulting associated mass-dependent adiabatic PES are gauge-invariant quantities. A sum-over-states (SOS) formula for DBOC which explicitly exhibits this invariance is derived. A biorthogonal formulation suitable for DBOC computations using standard unnormalised coupled-cluster (CC) wave-functions is presented. This is shown to lead to a biorthogonal version of SOS formula with similar properties. On this basis, different computational schemes for evaluating DBOC using approximate CC wave-functions are derived. One of this agrees with the formula used in the current literature. The connection to adiabatic-to-diabatic transformations in non-adiabatic dynamics is explored and complications arising from biorthogonal nature of CC theory are identified.

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meek, Garrett A.; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu

2016-05-14

We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplingsmore » at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.« less

Dispersive shock waves in systems with nonlocal dispersion of Benjamin-Ono type

NASA Astrophysics Data System (ADS)

El, G. A.; Nguyen, L. T. K.; Smyth, N. F.

2018-04-01

We develop a general approach to the description of dispersive shock waves (DSWs) for a class of nonlinear wave equations with a nonlocal Benjamin-Ono type dispersion term involving the Hilbert transform. Integrability of the governing equation is not a pre-requisite for the application of this method which represents a modification of the DSW fitting method previously developed for dispersive-hydrodynamic systems of Korteweg-de Vries (KdV) type (i.e. reducible to the KdV equation in the weakly nonlinear, long wave, unidirectional approximation). The developed method is applied to the Calogero-Sutherland dispersive hydrodynamics for which the classification of all solution types arising from the Riemann step problem is constructed and the key physical parameters (DSW edge speeds, lead soliton amplitude, intermediate shelf level) of all but one solution type are obtained in terms of the initial step data. The analytical results are shown to be in excellent agreement with results of direct numerical simulations.

Computational simulations of the interaction of water waves with pitching flap-type ocean wave energy converters

NASA Astrophysics Data System (ADS)

Pathak, Ashish; Raessi, Mehdi

2016-11-01

Using an in-house computational framework, we have studied the interaction of water waves with pitching flap-type ocean wave energy converters (WECs). The computational framework solves the full 3D Navier-Stokes equations and captures important effects, including the fluid-solid interaction, the nonlinear and viscous effects. The results of the computational tool, is first compared against the experimental data on the response of a flap-type WEC in a wave tank, and excellent agreement is demonstrated. Further simulations at the model and prototype scales are presented to assess the validity of the Froude scaling. The simulations are used to address some important questions, such as the validity range of common WEC modeling approaches that rely heavily on the Froude scaling and the inviscid potential flow theory. Additionally, the simulations examine the role of the Keulegan-Carpenter (KC) number, which is often used as a measure of relative importance of viscous drag on bodies exposed to oscillating flows. The performance of the flap-type WECs is investigated at various KC numbers to establish the relationship between the viscous drag and KC number for such geometry. That is of significant importance because such relationship only exists for simple geometries, e.g., a cylinder. Support from the National Science Foundation is gratefully acknowledged.

Metal-ligand delocalization and spin density in the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} molecules: Some insights from wave function theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giner, Emmanuel, E-mail: gnrmnl@unife.it; Angeli, Celestino, E-mail: anc@unife.it

2015-09-28

The aim of this paper is to unravel the physical phenomena involved in the calculation of the spin density of the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} systems using wave function methods. Various types of wave functions are used here, both variational and perturbative, to analyse the effects impacting the spin density. It is found that the spin density on the chlorine ligands strongly depends on the mixing between two types of valence bond structures. It is demonstrated that the main difficulties found in most of the previous studies based on wave function methods come from the fact that eachmore » valence bond structure requires a different set of molecular orbitals and that using a unique set of molecular orbitals in a variational procedure leads to the removal of one of them from the wave function. Starting from these results, a method to compute the spin density at a reasonable computational cost is proposed.« less

Calculation of total electron excitation cross-sections and partial electron ionization cross-sections for the elements. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Green, T. J.

1973-01-01

Computer programs were used to calculate the total electron excitation cross-section for atoms and the partial ionization cross-section. The approximations to the scattering amplitude used are as follows: (1) Born, Bethe, and Modified Bethe for non-exchange excitation; (2) Ochkur for exchange excitation; and (3) Coulomb-Born of non-exchange ionization. The amplitudes are related to the differential cross-sections which are integrated to give the total excitation (or partial ionization) cross-section for the collision. The atomic wave functions used are Hartree-Fock-Slater functions for bound states and the coulomb wave function for the continuum. The programs are presented and the results are examined.

Extracting a shape function for a signal with intra-wave frequency modulation.

PubMed

Hou, Thomas Y; Shi, Zuoqiang

2016-04-13

In this paper, we develop an effective and robust adaptive time-frequency analysis method for signals with intra-wave frequency modulation. To handle this kind of signals effectively, we generalize our data-driven time-frequency analysis by using a shape function to describe the intra-wave frequency modulation. The idea of using a shape function in time-frequency analysis was first proposed by Wu (Wu 2013 Appl. Comput. Harmon. Anal. 35, 181-199. (doi:10.1016/j.acha.2012.08.008)). A shape function could be any smooth 2π-periodic function. Based on this model, we propose to solve an optimization problem to extract the shape function. By exploring the fact that the shape function is a periodic function with respect to its phase function, we can identify certain low-rank structure of the signal. This low-rank structure enables us to extract the shape function from the signal. Once the shape function is obtained, the instantaneous frequency with intra-wave modulation can be recovered from the shape function. We demonstrate the robustness and efficiency of our method by applying it to several synthetic and real signals. One important observation is that this approach is very stable to noise perturbation. By using the shape function approach, we can capture the intra-wave frequency modulation very well even for noise-polluted signals. In comparison, existing methods such as empirical mode decomposition/ensemble empirical mode decomposition seem to have difficulty in capturing the intra-wave modulation when the signal is polluted by noise. © 2016 The Author(s).

Propagation of ultrasonic Love waves in nonhomogeneous elastic functionally graded materials.

PubMed

Kiełczyński, P; Szalewski, M; Balcerzak, A; Wieja, K

2016-02-01

This paper presents a theoretical study of the propagation behavior of ultrasonic Love waves in nonhomogeneous functionally graded elastic materials, which is a vital problem in the mechanics of solids. The elastic properties (shear modulus) of a semi-infinite elastic half-space vary monotonically with the depth (distance from the surface of the material). The Direct Sturm-Liouville Problem that describes the propagation of Love waves in nonhomogeneous elastic functionally graded materials is formulated and solved by using two methods: i.e., (1) Finite Difference Method, and (2) Haskell-Thompson Transfer Matrix Method. The dispersion curves of phase and group velocity of surface Love waves in inhomogeneous elastic graded materials are evaluated. The integral formula for the group velocity of Love waves in nonhomogeneous elastic graded materials has been established. The effect of elastic non-homogeneities on the dispersion curves of Love waves is discussed. Two Love wave waveguide structures are analyzed: (1) a nonhomogeneous elastic surface layer deposited on a homogeneous elastic substrate, and (2) a semi-infinite nonhomogeneous elastic half-space. Obtained in this work, the phase and group velocity dispersion curves of Love waves propagating in the considered nonhomogeneous elastic waveguides have not previously been reported in the scientific literature. The results of this paper may give a deeper insight into the nature of Love waves propagation in elastic nonhomogeneous functionally graded materials, and can provide theoretical guidance for the design and optimization of Love wave based devices. Copyright © 2015 Elsevier B.V. All rights reserved.

Comparison of Regression Analysis and Transfer Function in Estimating the Parameters of Central Pulse Waves from Brachial Pulse Wave.

PubMed

Chai, Rui; Xu, Li-Sheng; Yao, Yang; Hao, Li-Ling; Qi, Lin

2017-01-01

This study analyzed ascending branch slope (A_slope), dicrotic notch height (Hn), diastolic area (Ad) and systolic area (As) diastolic blood pressure (DBP), systolic blood pressure (SBP), pulse pressure (PP), subendocardial viability ratio (SEVR), waveform parameter (k), stroke volume (SV), cardiac output (CO), and peripheral resistance (RS) of central pulse wave invasively and non-invasively measured. Invasively measured parameters were compared with parameters measured from brachial pulse waves by regression model and transfer function model. Accuracy of parameters estimated by regression and transfer function model, was compared too. Findings showed that k value, central pulse wave and brachial pulse wave parameters invasively measured, correlated positively. Regression model parameters including A_slope, DBP, SEVR, and transfer function model parameters had good consistency with parameters invasively measured. They had same effect of consistency. SBP, PP, SV, and CO could be calculated through the regression model, but their accuracies were worse than that of transfer function model.

Semi-analytical Karhunen-Loeve representation of irregular waves based on the prolate spheroidal wave functions

NASA Astrophysics Data System (ADS)

Lee, Gibbeum; Cho, Yeunwoo

2018-01-01

A new semi-analytical approach is presented to solving the matrix eigenvalue problem or the integral equation in Karhunen-Loeve (K-L) representation of random data such as irregular ocean waves. Instead of direct numerical approach to this matrix eigenvalue problem, which may suffer from the computational inaccuracy for big data, a pair of integral and differential equations are considered, which are related to the so-called prolate spheroidal wave functions (PSWF). First, the PSWF is expressed as a summation of a small number of the analytical Legendre functions. After substituting them into the PSWF differential equation, a much smaller size matrix eigenvalue problem is obtained than the direct numerical K-L matrix eigenvalue problem. By solving this with a minimal numerical effort, the PSWF and the associated eigenvalue of the PSWF differential equation are obtained. Then, the eigenvalue of the PSWF integral equation is analytically expressed by the functional values of the PSWF and the eigenvalues obtained in the PSWF differential equation. Finally, the analytically expressed PSWFs and the eigenvalues in the PWSF integral equation are used to form the kernel matrix in the K-L integral equation for the representation of exemplary wave data such as ordinary irregular waves. It is found that, with the same accuracy, the required memory size of the present method is smaller than that of the direct numerical K-L representation and the computation time of the present method is shorter than that of the semi-analytical method based on the sinusoidal functions.

Towards an exact factorization of the molecular wave function

NASA Astrophysics Data System (ADS)

Parashar, Shubham; Sajeev, Y.; Ghosh, Swapan K.

2015-10-01

An exact single-product factorisation of the molecular wave function for the timedependent Schrödinger equation is investigated by using an ansatz involving a phase factor. By using the Frenkel variational method, we obtain the Schrödinger equations for the electronic and nuclear wave functions. The concept of a potential energy surface (PES) is retained by introducing a modified Hamiltonian as suggested earlier by Cederbaum. The parameter ω in the phase factor is chosen such that the equations of motion retain the physically appealing Born- Oppenheimer-like form, and is therefore unique.

Covariance Function for Nearshore Wave Assimilation Systems

DTIC Science & Technology

2018-01-30

covariance can be modeled by a parameterized Gaussian function, for nearshore wave assimilation applications, the covariance function depends primarily on...case of missing values at the compiled time series, the gaps were filled by weighted interpolation. The weights depend on the number of the...averaging, in order to create the continuous time series, filters out the dependency on the instantaneous meteorological and oceanographic conditions

Electron number probability distributions for correlated wave functions.

PubMed

Francisco, E; Martín Pendás, A; Blanco, M A

2007-03-07

Efficient formulas for computing the probability of finding exactly an integer number of electrons in an arbitrarily chosen volume are only known for single-determinant wave functions [E. Cances et al., Theor. Chem. Acc. 111, 373 (2004)]. In this article, an algebraic method is presented that extends these formulas to the case of multideterminant wave functions and any number of disjoint volumes. The derived expressions are applied to compute the probabilities within the atomic domains derived from the space partitioning based on the quantum theory of atoms in molecules. Results for a series of test molecules are presented, paying particular attention to the effects of electron correlation and of some numerical approximations on the computed probabilities.

Photon wave function formalism for analysis of Mach–Zehnder interferometer and sum-frequency generation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ritboon, Atirach, E-mail: atirach.3.14@gmail.com; Department of Physics, Faculty of Science, Prince of Songkla University, Hat Yai 90112; Daengngam, Chalongrat, E-mail: chalongrat.d@psu.ac.th

2016-08-15

Biakynicki-Birula introduced a photon wave function similar to the matter wave function that satisfies the Schrödinger equation. Its second quantization form can be applied to investigate nonlinear optics at nearly full quantum level. In this paper, we applied the photon wave function formalism to analyze both linear optical processes in the well-known Mach–Zehnder interferometer and nonlinear optical processes for sum-frequency generation in dispersive and lossless medium. Results by photon wave function formalism agree with the well-established Maxwell treatments and existing experimental verifications.

Accuracy of Hartree-Fock wave functions for electron-H/sub 2/ scattering calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feldt, A.N.

1988-05-01

Recent papers on electron-N/sub 2/ scattering by Rumble, Stevens, and Truhlar (J. Phys. B 17, 3151 (1984)) and Weatherford, Brown, and Temkin (Phys. Rev. A 35, 4561 (1987)) have suggested that Hartree-Fock (HF) wave functions may not be accurate for calculating potentials for use in studying electron-molecule collisions. A comparison of results for electron-H/sub 2/ scattering using both correlated and HF wave functions is presented. It is found that for both elastic and inelastic collisions and for all energies considered (up to 10 eV) the HF wave functions yield results in excellent agreement with those obtained from the more accuratemore » wave functions.« less

Characterization of n-Type and p-Type Long-Wave InAs/InAsSb Superlattices

NASA Astrophysics Data System (ADS)

Brown, A. E.; Baril, N.; Zuo, D.; Almeida, L. A.; Arias, J.; Bandara, S.

2017-09-01

The influence of dopant concentration on both in-plane mobility and minority carrier lifetime in long-wave infrared InAs/InAsSb superlattices (SLs) was investigated. Unintentially doped ( n-type) and various concentrations of Be-doped ( p-type) SLs were characterized using variable-field Hall and photoconductive decay techniques. Minority carrier lifetimes in p-type InAs/InAsSb SLs are observed to decrease with increasing carrier concentration, with the longest lifetime at 77 K determined to be 437 ns, corresponding to a measured carrier concentration of p 0 = 4.1 × 1015 cm-3. Variable-field Hall technique enabled the extraction of in-plane hole, electron, and surface electron transport properties as a function of temperature. In-plane hole mobility is not observed to change with doping level and increases with reducing temperature, reaching a maximum at the lowest temperature measured of 30 K. An activation energy of the Be-dopant is determined to be 3.5 meV from Arrhenius analysis of hole concentration. Minority carrier electrons populations are suppressed at the highest Be-doping levels, but mobility and concentration values are resolved in lower-doped samples. An average surface electron conductivity of 3.54 × 10-4 S at 30 K is determined from the analysis of p-type samples. Effects of passivation treatments on surface conductivity will be presented.

Optogenetic Stimulation Shifts the Excitability of Cerebral Cortex from Type I to Type II: Oscillation Onset and Wave Propagation.

PubMed

Heitmann, Stewart; Rule, Michael; Truccolo, Wilson; Ermentrout, Bard

2017-01-01

Constant optogenetic stimulation targeting both pyramidal cells and inhibitory interneurons has recently been shown to elicit propagating waves of gamma-band (40-80 Hz) oscillations in the local field potential of non-human primate motor cortex. The oscillations emerge with non-zero frequency and small amplitude-the hallmark of a type II excitable medium-yet they also propagate far beyond the stimulation site in the manner of a type I excitable medium. How can neural tissue exhibit both type I and type II excitability? We investigated the apparent contradiction by modeling the cortex as a Wilson-Cowan neural field in which optogenetic stimulation was represented by an external current source. In the absence of any external current, the model operated as a type I excitable medium that supported propagating waves of gamma oscillations similar to those observed in vivo. Applying an external current to the population of inhibitory neurons transformed the model into a type II excitable medium. The findings suggest that cortical tissue normally operates as a type I excitable medium but it is locally transformed into a type II medium by optogenetic stimulation which predominantly targets inhibitory neurons. The proposed mechanism accounts for the graded emergence of gamma oscillations at the stimulation site while retaining propagating waves of gamma oscillations in the non-stimulated tissue. It also predicts that gamma waves can be emitted on every second cycle of a 100 Hz oscillation. That prediction was subsequently confirmed by re-analysis of the neurophysiological data. The model thus offers a theoretical account of how optogenetic stimulation alters the excitability of cortical neural fields.

Fate of the open-shell singlet ground state in the experimentally accessible acenes: A quantum Monte Carlo study

NASA Astrophysics Data System (ADS)

Dupuy, Nicolas; Casula, Michele

2018-04-01

By means of the Jastrow correlated antisymmetrized geminal power (JAGP) wave function and quantum Monte Carlo (QMC) methods, we study the ground state properties of the oligoacene series, up to the nonacene. The JAGP is the accurate variational realization of the resonating-valence-bond (RVB) ansatz proposed by Pauling and Wheland to describe aromatic compounds. We show that the long-ranged RVB correlations built in the acenes' ground state are detrimental for the occurrence of open-shell diradical or polyradical instabilities, previously found by lower-level theories. We substantiate our outcome by a direct comparison with another wave function, tailored to be an open-shell singlet (OSS) for long-enough acenes. By comparing on the same footing the RVB and OSS wave functions, both optimized at a variational QMC level and further projected by the lattice regularized diffusion Monte Carlo method, we prove that the RVB wave function has always a lower variational energy and better nodes than the OSS, for all molecular species considered in this work. The entangled multi-reference RVB state acts against the electron edge localization implied by the OSS wave function and weakens the diradical tendency for higher oligoacenes. These properties are reflected by several descriptors, including wave function parameters, bond length alternation, aromatic indices, and spin-spin correlation functions. In this context, we propose a new aromatic index estimator suitable for geminal wave functions. For the largest acenes taken into account, the long-range decay of the charge-charge correlation functions is compatible with a quasi-metallic behavior.

Coulomb wave functions with complex values of the variable and the parameters

NASA Astrophysics Data System (ADS)

Dzieciol, Aleksander; Yngve, Staffan; Fröman, Per Olof

1999-12-01

The motivation for the present paper lies in the fact that the literature concerning the Coulomb wave functions FL(η,ρ) and GL(η,ρ) is a jungle in which it may be hard to find a safe way when one needs general formulas for the Coulomb wave functions with complex values of the variable ρ and the parameters L and η. For the Coulomb wave functions and certain linear combinations of these functions we discuss the connection with the Whittaker function, the Coulomb phase shift, Wronskians, reflection formulas (L→-L-1), integral representations, series expansions, circuital relations (ρ→ρe±iπ) and asymptotic formulas on a Riemann surface for the variable ρ. The parameters L and η are allowed to assume complex values.

Wave function for time-dependent harmonically confined electrons in a time-dependent electric field.

PubMed

Li, Yu-Qi; Pan, Xiao-Yin; Sahni, Viraht

2013-09-21

The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential.

Fundamental understanding of wave generation and reception using d(36) type piezoelectric transducers.

PubMed

Zhou, Wensong; Li, Hui; Yuan, Fuh-Gwo

2015-03-01

A new piezoelectric wafer made from a PMN-PT single crystal with dominant piezoelectric coefficient d36 is proposed to generate and detect guided waves on isotropic plates. The in-plane shear coupled with electric field arising from the piezoelectric coefficient is not usually present for conventional piezoelectric wafers, such as lead zirconate titanate (PZT). The direct piezoelectric effect of coefficient d36 indicates that under external in-plane shear stress the charge is induced on a face perpendicular to the poled z-direction. On thin plates, this type of piezoelectric wafer will generate shear horizontal (SH) waves in two orthogonal wave propagation directions as well as two Lamb wave modes in other wave propagation directions. Finite element analyses are employed to explore the wave disturbance in terms of time-varying displacements excited by the d36 wafer in different directions of wave propagation to understand all the guided wave modes accurately. Experiments are conducted to examine the voltage responses received by this type of wafer, and also investigate results of tuning frequency and effects of d31 piezoelectric coefficient, which is intentionally ignored in the finite element analysis. All results demonstrate the main features and utility of proposed d36 piezoelectric wafer for guided wave generation and detection in structural health monitoring. Copyright © 2014 Elsevier B.V. All rights reserved.

Gravity induced wave function collapse

NASA Astrophysics Data System (ADS)

Gasbarri, G.; Toroš, M.; Donadi, S.; Bassi, A.

2017-11-01

Starting from an idea of S. L. Adler [in Quantum Nonlocality and Reality: 50 Years of Bell's Theorem, edited by M. Bell and S. Gao (Cambridge University Press, Cambridge, England 2016)], we develop a novel model of gravity induced spontaneous wave function collapse. The collapse is driven by complex stochastic fluctuations of the spacetime metric. After deriving the fundamental equations, we prove the collapse and amplification mechanism, the two most important features of a consistent collapse model. Under reasonable simplifying assumptions, we constrain the strength ξ of the complex metric fluctuations with available experimental data. We show that ξ ≥10-26 in order for the model to guarantee classicality of macro-objects, and at the same time ξ ≤10-20 in order not to contradict experimental evidence. As a comparison, in the recent discovery of gravitational waves in the frequency range 35 to 250 Hz, the (real) metric fluctuations reach a peak of ξ ˜10-21.

Pixel level optical-transfer-function design based on the surface-wave-interferometry aperture

PubMed Central

Zheng, Guoan; Wang, Yingmin; Yang, Changhuei

2010-01-01

The design of optical transfer function (OTF) is of significant importance for optical information processing in various imaging and vision systems. Typically, OTF design relies on sophisticated bulk optical arrangement in the light path of the optical systems. In this letter, we demonstrate a surface-wave-interferometry aperture (SWIA) that can be directly incorporated onto optical sensors to accomplish OTF design on the pixel level. The whole aperture design is based on the bull’s eye structure. It composes of a central hole (diameter of 300 nm) and periodic groove (period of 560 nm) on a 340 nm thick gold layer. We show, with both simulation and experiment, that different types of optical transfer functions (notch, highpass and lowpass filter) can be achieved by manipulating the interference between the direct transmission of the central hole and the surface wave (SW) component induced from the periodic groove. Pixel level OTF design provides a low-cost, ultra robust, highly compact method for numerous applications such as optofluidic microscopy, wavefront detection, darkfield imaging, and computational photography. PMID:20721038

Long-Wave Type-II Superlattice Detectors with Unipolar Electron and Hole Barriers

DTIC Science & Technology

2012-12-01

technologies are readily deployed for the visible, short- wave infrared (SWIR), mid-wave infrared (MWIR), and long-wave infrared ( LWIR ) spectral bands.1 These... LWIR band, sensor technologies include Hg1−xCdxTe (MCT), microbolometers, and Type-II superlattices (SLS).3 In addition to the aforementioned materials...well infrared photodetector (QWIP) was born,6 and has since become well-positioned as a mainstream technology for LWIR sen- sors. In recognition of the

Diffraction and quantum control of wave functions in nonresonant two-photon absorption

NASA Astrophysics Data System (ADS)

Li, Baihong; Pang, Huafeng; Wang, Doudou; Zhang, Tao; Dong, Ruifang; Li, Yongfang

2018-03-01

In this study, the nonresonant two-photon absorption process in a two-level atom, induced by a weak chirped pulse, is theoretically investigated in the frequency domain. An analytical expression of the wave function expressed by Fresnel functions is obtained, and the two-photon transition probability (TPTP) versus the integral bandwidth, spectral width, and chirp parameter is analyzed. The results indicate that the oscillation evolution of the TPTP result from quantum diffraction of the wave function, which can be explained by analogy with Fresnel diffraction from a wide slit in the spatial domain. Moreover, the ratio between the real and imaginary parts of the excited state wave function and, hence, the atomic polarization, can be controlled by the initial phase of the excitation pulse. In some special initial phase of the excitation pulse, the wave functions with purely real or imaginary parts can be obtained by measuring the population probability. This work provides a novel perspective for understanding the physical details of the interactions between atoms and chirped light pulses in the multiphoton process.

Coronary wave energy: a novel predictor of functional recovery after myocardial infarction.

PubMed

De Silva, Kalpa; Foster, Paul; Guilcher, Antoine; Bandara, Asela; Jogiya, Roy; Lockie, Tim; Chowiencyzk, Phil; Nagel, Eike; Marber, Michael; Redwood, Simon; Plein, Sven; Perera, Divaka

2013-04-01

Revascularization after acute coronary syndromes provides prognostic benefit, provided that the subtended myocardium is viable. The microcirculation and contractility of the subtended myocardium affect propagation of coronary flow, which can be characterized by wave intensity analysis. The study objective was to determine in acute coronary syndromes whether early wave intensity analysis-derived microcirculatory (backward) expansion wave energy predicts late viability, defined by functional recovery. Thirty-one patients (58±11 years) were enrolled after non-ST elevation myocardial infarction. Regional left ventricular function and late-gadolinium enhancement were assessed by cardiac magnetic resonance imaging, before and 3 months after revascularization. The backward-traveling (microcirculatory) expansion wave was derived from wave intensity analysis of phasic coronary pressure and velocity in the infarct-related artery, whereas mean values were used to calculate hyperemic microvascular resistance. Twelve-hour troponin T, left ventricular ejection fraction, and percentage late-gadolinium enhancement mass were 1.35±1.21 µg/L, 56±11%, and 8.4±6.0%, respectively. The infarct-related artery backward-traveling (microcirculatory) expansion wave was inversely correlated with late-gadolinium enhancement infarct mass (r=-0.81; P<0.0001) and strongly predicted regional left ventricular recovery (r=0.68; P=0.001). By receiver operating characteristic analysis, a backward-traveling (microcirculatory) expansion wave threshold of 2.8 W m(-2) s(-2)×10(5) predicted functional recovery with sensitivity and specificity of 0.91 and 0.82 (AUC 0.88). Hyperemic microvascular resistance correlated with late-gadolinium enhancement mass (r=0.48; P=0.03) but not left ventricular recovery (r=-0.34; P=0.07). The microcirculation-derived backward expansion wave is a new index that correlates with the magnitude and location of infarction, which may allow for the prediction of functional

A single-sided representation for the homogeneous Green's function of a unified scalar wave equation.

PubMed

Wapenaar, Kees

2017-06-01

A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.

Epicenter Location of Regional Seismic Events Using Love Wave and Rayleigh Wave Ambient Seismic Noise Green's Functions

NASA Astrophysics Data System (ADS)

Levshin, A. L.; Barmin, M. P.; Moschetti, M. P.; Mendoza, C.; Ritzwoller, M. H.

2011-12-01

We describe a novel method to locate regional seismic events based on exploiting Empirical Green's Functions (EGF) that are produced from ambient seismic noise. Elastic EGFs between pairs of seismic stations are determined by cross-correlating long time-series of ambient noise recorded at the two stations. The EGFs principally contain Rayleigh waves on the vertical-vertical cross-correlations and Love waves on the transverse-transverse cross-correlations. Earlier work (Barmin et al., "Epicentral location based on Rayleigh wave empirical Green's functions from ambient seismic noise", Geophys. J. Int., 2011) showed that group time delays observed on Rayleigh wave EGFs can be exploited to locate to within about 1 km moderate sized earthquakes using USArray Transportable Array (TA) stations. The principal advantage of the method is that the ambient noise EGFs are affected by lateral variations in structure similarly to the earthquake signals, so the location is largely unbiased by 3-D structure. However, locations based on Rayleigh waves alone may be biased by more than 1 km if the earthquake depth is unknown but lies between 2 km and 7 km. This presentation is motivated by the fact that group time delays for Love waves are much less affected by earthquake depth than Rayleigh waves; thus exploitation of Love wave EGFs may reduce location bias caused by uncertainty in event depth. The advantage of Love waves to locate seismic events, however, is mitigated by the fact that Love wave EGFs have a smaller SNR than Rayleigh waves. Here, we test the use of Love and Rayleigh wave EGFs between 5- and 15-sec period to locate seismic events based on the USArray TA in the western US. We focus on locating aftershocks of the 2008 M 6.0 Wells earthquake, mining blasts in Wyoming and Montana, and small earthquakes near Norman, OK and Dallas, TX, some of which may be triggered by hydrofracking or injection wells.

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

PubMed

Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

2016-07-12

A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

One-range addition theorems for derivatives of Slater-type orbitals.

PubMed

Guseinov, Israfil

2004-06-01

Using addition theorems for STOs introduced by the author with the help of complete orthonormal sets of psi(alpha)-ETOs (Guseinov II (2003) J Mol Model 9:190-194), where alpha=1, 0, -1, -2, ..., a large number of one-range addition theorems for first and second derivatives of STOs are established. These addition theorems are especially useful for computation of multicenter-multielectron integrals over STOs that arise in the Hartree-Fock-Roothaan approximation and also in the Hylleraas function method, which play a significant role for the study of electronic structure and electron-nuclei interaction properties of atoms, molecules, and solids. The relationships obtained are valid for arbitrary quantum numbers, screening constants and location of STOs.

Novel types of surface acoustic wave microreflectors - Performance analysis and simulations

NASA Astrophysics Data System (ADS)

Golan, G.; Griffel, G.; Seidman, A.; Croitoru, N.

1990-06-01

Surface acoustic waves for micrograting reflectors have been characterized. Based on the perturbation theory, eight different types of structures on an acoustic waveguide were analyzed. Results of simulations of all eight types of corrugation structures were evaluated in order to find the least leaky waveguide, the most efficient reflector (with minimum necessary perturbations), and the optimal mode shape for improved performances. General design curves are presented in order to illustrate the behavior of the incident and reflected waves under a variety of structural conditions. Analytic expressions for the calculations of the mode amplitude and mode shape, and for general acoustic corrugations are derived and then the simulations results are presented.

Shear wave velocity model beneath CBJI station West Java, Indonesia from joint inversion of teleseismic receiver functions and surface wave dispersion

NASA Astrophysics Data System (ADS)

Simanungkalit, R. H.; Anggono, T.; Syuhada; Amran, A.; Supriyanto

2018-03-01

Earthquake signal observations around the world allow seismologists to obtain the information of internal structure of the Earth especially the Earth’s crust. In this study, we used joint inversion of receiver functions and surface wave group velocities to investigate crustal structure beneath CBJI station in West Java, Indonesia. Receiver function were calculated from earthquakes with magnitude more than 5 and at distance 30°-90°. Surface wave group velocities were calculated using frequency time analysis from earthquakes at distance of 30°- 40°. We inverted shear wave velocity model beneath the station by conducting joint inversion from receiver functions and surface wave dispersions. We suggest that the crustal thickness beneath CBJI station, West Java, Indonesia is about 35 km.

Asymptotic behavior of Nambu-Bethe-Salpeter wave functions for multiparticles in quantum field theories

NASA Astrophysics Data System (ADS)

Aoki, Sinya; Ishii, Noriyoshi; Doi, Takumi; Ikeda, Yoichi; Inoue, Takashi

2013-07-01

We derive asymptotic behaviors of the Nambu-Bethe-Salpeter (NBS) wave function at large space separations for systems with more than two particles in quantum field theories. To deal with n particles in the center-of-mass frame coherently, we introduce the Jacobi coordinates of n particles and then combine their 3(n-1) coordinates into the one spherical coordinate in D=3(n-1) dimensions. We parametrize the on-shell T matrix for n scalar particles at low energy using the unitarity constraint of the S matrix. We then express asymptotic behaviors of the NBS wave function for n particles at low energy in terms of parameters of the T matrix and show that the NBS wave function carries information of the T matrix such as phase shifts and mixing angles of the n-particle system in its own asymptotic behavior, so that the NBS wave function can be considered as the scattering wave of n particles in quantum mechanics. This property is one of the essential ingredients of the HAL QCD scheme to define “potential” from the NBS wave function in quantum field theories such as QCD. Our results, together with an extension to systems with spin 1/2 particles, justify the HAL QCD’s definition of potentials for three or more nucleons (or baryons) in terms of the NBS wave functions.

Embedding beyond electrostatics-The role of wave function confinement.

PubMed

Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M; Wüstner, Daniel; Kongsted, Jacob

2016-09-14

We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π(∗) transition, which was not possible using an embedding method that only includes electrostatics. This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods.

P- and S-wave Receiver Function Imaging with Scattering Kernels

NASA Astrophysics Data System (ADS)

Hansen, S. M.; Schmandt, B.

2017-12-01

Full waveform inversion provides a flexible approach to the seismic parameter estimation problem and can account for the full physics of wave propagation using numeric simulations. However, this approach requires significant computational resources due to the demanding nature of solving the forward and adjoint problems. This issue is particularly acute for temporary passive-source seismic experiments (e.g. PASSCAL) that have traditionally relied on teleseismic earthquakes as sources resulting in a global scale forward problem. Various approximation strategies have been proposed to reduce the computational burden such as hybrid methods that embed a heterogeneous regional scale model in a 1D global model. In this study, we focus specifically on the problem of scattered wave imaging (migration) using both P- and S-wave receiver function data. The proposed method relies on body-wave scattering kernels that are derived from the adjoint data sensitivity kernels which are typically used for full waveform inversion. The forward problem is approximated using ray theory yielding a computationally efficient imaging algorithm that can resolve dipping and discontinuous velocity interfaces in 3D. From the imaging perspective, this approach is closely related to elastic reverse time migration. An energy stable finite-difference method is used to simulate elastic wave propagation in a 2D hypothetical subduction zone model. The resulting synthetic P- and S-wave receiver function datasets are used to validate the imaging method. The kernel images are compared with those generated by the Generalized Radon Transform (GRT) and Common Conversion Point stacking (CCP) methods. These results demonstrate the potential of the kernel imaging approach to constrain lithospheric structure in complex geologic environments with sufficiently dense recordings of teleseismic data. This is demonstrated using a receiver function dataset from the Central California Seismic Experiment which shows several

Trial wave functions for a composite Fermi liquid on a torus

NASA Astrophysics Data System (ADS)

Fremling, M.; Moran, N.; Slingerland, J. K.; Simon, S. H.

2018-01-01

We study the two-dimensional electron gas in a magnetic field at filling fraction ν =1/2 . At this filling the system is in a gapless state which can be interpreted as a Fermi liquid of composite fermions. We construct trial wave functions for the system on a torus, based on this idea, and numerically compare these to exact wave functions for small systems found by exact diagonalization. We find that the trial wave functions give an excellent description of the ground state of the system, as well as its charged excitations, in all momentum sectors. We analyze the dispersion of the composite fermions and the Berry phase associated with dragging a single fermion around the Fermi surface and comment on the implications of our results for the current debate on whether composite fermions are Dirac fermions.

Evidence for four- and three-wave interactions in solar type III radio emissions

NASA Astrophysics Data System (ADS)

Thejappa, G.; MacDowall, R. J.; Bergamo, M.

2013-08-01

The high time resolution observations obtained by the STEREO/WAVES experiment show that in the source regions of solar type III radio bursts, Langmuir waves often occur as intense localized wave packets with short durations of only few ms. One of these wave packets shows that it is a three-dimensional field structure with WLneTe ~ 10-3, where WL is the peak energy density, and ne and Te are the electron density and temperature, respectively. For this wave packet, the conditions of the oscillating two-stream instability (OTSI) and supersonic collapse are satisfied within the error range of determination of main parameters. The density cavity, observed during this wave packet indicates that its depth, width and temporal coincidence are consistent with those of a caviton, generated by the ponderomotive force of the collapsing wave packet. The spectrum of each of the parallel and perpendicular components of the wave packet contains a primary peak at fpe, two secondary peaks at fpe ± fS and a low-frequency enhancement below fS, which, as indicated by the frequency and wave number resonance conditions, and the fast Fourier transform (FFT)-based tricoherence spectral peak at (fpe, fpe, fpe + fS, fpe - fS), are coupled to each other by the OTSI type of four-wave interaction (fpe is the local electron plasma frequency and fS is the frequency of ion sound waves). In addition to the primary peak at fpe, each of these spectra also contains a peak at 2fpe, which as indicated by the frequency and wave number resonance conditions, and the wavelet-based bicoherence spectral peak at (fpe, fpe), appears to correspond to the second harmonic electromagnetic waves generated as a result of coalescence of oppositely propagating sidebands excited by the OTSI. Thus, these observations for

Delta function excitation of waves in the earth's ionosphere

NASA Technical Reports Server (NTRS)

Vidmar, R. J.; Crawford, F. W.; Harker, K. J.

1983-01-01

Excitation of the earth's ionosphere by delta function current sheets is considered, and the temporal and spatial evolution of wave packets is analyzed for a two-component collisional F2 layer. Approximations of an inverse Fourier-Laplace transform via saddle point methods provide plots of typical wave packets. These illustrate cold plasma wave theory and may be used as a diagnostic tool since it is possible to relate specific features, e.g., the frequency of a modulation envelope, to plasma parameters such as the electron cyclotron frequency. It is also possible to deduce the propagation path length and orientation of a remote radio beacon.

Rogue waves and lump solitons for a ?-dimensional B-type Kadomtsev-Petviashvili equation in fluid dynamics

NASA Astrophysics Data System (ADS)

Sun, Yan; Tian, Bo; Xie, Xi-Yang; Chai, Jun; Yin, Hui-Min

2018-07-01

Under investigation is a ?-dimensional B-type Kadomtsev-Petviashvili equation, which has applications in the propagation of non-linear waves in fluid dynamics. Through the Hirota method and the extended homoclinic test technique, we obtain the breather-type kink soliton solutions and breather rational soliton solutions. Rogue wave solutions are derived, which come from the derivation of breather rational solitons with respect to x. Amplitudes of the breather-type kink solitons and rogue waves decrease with a non-zero parameter in the equation, ?, increasing when ?. In addition, dark rogue waves are derived when ?. Furthermore, with the aid of the Hirota method and symbolic computation, two types of the lump solitons are obtained with the different choices of the parameters. We graphically study the lump solitons related to the parameter ?, and amplitude of the lump soliton is negatively correlated with ? when ?.

Strong potential wave functions with elastic channel distortion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Macek, J.; Taulbjerg, K.

1989-06-01

The strong-potential Born approximation is analyzed in a channel-distorted-wave approach. Channel-distorted SPB wave functions are reduced to a conventional form in which the standard off-energy-shell factor /ital g/ has been replaced by a modified factor ..gamma.., which represents a suitable average of /ital g/ over the momentum distribution of the distorted-channel function. The modified factor is evaluated in a physically realistic model for the distortion potential, and it is found that ..gamma.. is well represented by a slowly varying phase factor. The channel-distorted SPB approximation is accordingly identical to the impulse approximation if the phase variation of ..gamma.. can bemore » ignored. This is generally the case in applications to radiative electron capture and to a good approximation for ordinary capture at not too small velocities.« less

Whistler Waves With Electron Temperature Anisotropy And Non-Maxwellian Distribution Functions

NASA Astrophysics Data System (ADS)

Masood, W.

2017-12-01

Low frequency waves (˜ 100Hz), popularly known as Lion roars, are ubiquitously observed by satellites in terrestrial magnetosheath. By dint of both wave and electron data from the Cluster spacecraft and employing the linear kinetic theory for the electromagnetic waves, Masood et. al. (Ann. Geophysicae. 24, 1725-1735 (2006)) examined the conjecture made by Thorne and Tsurutani (Nature, 93, 384 (1981)) that whistler waves with electron temperature anisotropy are the progenitors of lion roars. It turned out that the study based upon the bi-Maxwellian distribution function did not come up with a satisfactory explanation of certain disagreements between theory and data. In this paper, we revisit the problem using the generalized (r, q) distribution to carry out the linear stability analysis. It is shown that good qualitative and quantitative agreements are found between theory and data using this distribution. Whistler waves with electron temperature anisotropy are also investigated with other non-Maxwellian distribution functions and general comparison is made in the end and differences in each case are highlighted. The possible applications in space plasmas are also pointed out.

The multifacet graphically contracted function method. I. Formulation and implementation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shepard, Ron; Brozell, Scott R.; Gidofalvi, Gergely

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that bothmore » the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.« less

The multifacet graphically contracted function method. I. Formulation and implementation

NASA Astrophysics Data System (ADS)

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R.

2014-08-01

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N2n4) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

The multifacet graphically contracted function method. I. Formulation and implementation.

PubMed

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N(2)n(4)) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

Mechano-electrical feedback explains T-wave morphology and optimizes cardiac pump function: insight from a multi-scale model.

PubMed

Hermeling, Evelien; Delhaas, Tammo; Prinzen, Frits W; Kuijpers, Nico H L

2012-01-01

In the ECG, T- and R-wave are concordant during normal sinus rhythm (SR), but discordant after a period of ventricular pacing (VP). Experiments showed that the latter phenomenon, called T-wave memory, is mediated by a mechanical stimulus. By means of a mathematical model, we investigated the hypothesis that slow acting mechano-electrical feedback (MEF) explains T-wave memory. In our model, electromechanical behavior of the left ventricle (LV) was simulated using a series of mechanically and electrically coupled segments. Each segment comprised ionic membrane currents, calcium handling, and excitation-contraction coupling. MEF was incorporated by locally adjusting conductivity of L-type calcium current (g(CaL)) to local external work. In our set-up, g(CaL) could vary up to 25%, 50%, 100% or unlimited amount around its default value. Four consecutive simulations were performed: normal SR (with MEF), acute VP, sustained VP (with MEF), and acutely restored SR. MEF led to T-wave concordance in normal SR and to discordant T-waves acutely after restoring SR. Simulated ECGs with a maximum of 25-50% adaptation closely resembled those during T-wave memory experiments in vivo and also provided the best compromise between optimal systolic and diastolic function. In conclusion, these simulation results indicate that slow acting MEF in the LV can explain a) the relatively small differences in systolic shortening and mechanical work during SR, b) the small dispersion in repolarization time, c) the concordant T-wave during SR, and d) T-wave memory. The physiological distribution in electrophysiological properties, reflected by the concordant T-wave, may serve to optimize cardiac pump function. Copyright © 2012 Elsevier Ltd. All rights reserved.

On the asymptotic evolution of finite energy Airy wave functions.

PubMed

Chamorro-Posada, P; Sánchez-Curto, J; Aceves, A B; McDonald, G S

2015-06-15

In general, there is an inverse relation between the degree of localization of a wave function of a certain class and its transform representation dictated by the scaling property of the Fourier transform. We report that in the case of finite energy Airy wave packets a simultaneous increase in their localization in the direct and transform domains can be obtained as the apodization parameter is varied. One consequence of this is that the far-field diffraction rate of a finite energy Airy beam decreases as the beam localization at the launch plane increases. We analyze the asymptotic properties of finite energy Airy wave functions using the stationary phase method. We obtain one dominant contribution to the long-term evolution that admits a Gaussian-like approximation, which displays the expected reduction of its broadening rate as the input localization is increased.

A Proton-Cyclotron Wave Storm Generated by Unstable Proton Distribution Functions in the Solar Wind

NASA Technical Reports Server (NTRS)

Wicks, R. T.; Alexander, R. L.; Stevens, M.; Wilson, L. B., III; Moya, P. S.; Vinas, A.; Jian, L. K.; Roberts, D. A.; O’Modhrain, S.; Gilbert, J. A.;

Wave-flume experiments of soft-rock cliff erosion under monochromatic waves

NASA Astrophysics Data System (ADS)

Regard, Vincent; Astruc, Dominique; Caplain, Bastien

2017-04-01

We investigate how cliffs erode under wave attack. Rocky coast erosion works through cycles, each one corresponding to three successive phases: (i) notch creation at cliff toe by mechanical action of waves, (ii) cliff fracturation leading to collapse, and (iii) evacuation of scree aprons by waves and currents. We performed experiments in a 5m x 14cm x 25cm wave flume (15 cm water depth) to investigate how waves are eroding a rocky coast. The cliff is made of wet sand and models a relatively soft rock. We used 3 different grain size (D50 = 0.28-0.41-0.48 mm), changing the cliff rheology. Waves are monochromatic; their height and period differ for the various experiments. Actual wave parameters are estimated by capacitive probes located offshore. The experiments are monitored by two video cameras both on the side and above the flume. Pictures are taken at a rate of 1Hz during the first 4h and then the rate is decreased to 0.1Hz till the end of experiment (about 1 day). The monitoring ensure a confident characterization of experiments in terms of waves (surf similarity parameter ξ and the incident wave energy flux F) and in terms of sediment (Dean number Ω and Shields number θb at breakers). Experiments begin by an initial phase of quick cliff retreat. Then the system evolves with slower cliff retreat. We focus on bottom morphology which we characterize in function of wave forcing (ξ, F). We show that the bottom morphology mainly depends on ξ. For our reference sediment (Dm = 0.41 mm), we observed: (i) surging breakers on a steep terrace (type T1) for ξ > 0.65; (ii)collapsing breakers on a bared profile attached to the inner platform (type T2) for 0.55< ξ <0.6; (iii) spilling breakers on gentle terrace (type T3) for F < 1.3 W/m and 0.55< ξ <0.6. Another bottom morphology, type T4, displays two sub-systems, an outer system with a double-bar profile where breaking waves are plunging, and an inner system with a T1, T2 or T3 profile. Some of these bottom

A Study of Regional Wave Source Time Functions of Central Asian Earthquakes

NASA Astrophysics Data System (ADS)

Xie, J.; Perry, M. R.; Schult, F. R.; Wood, J.

2014-12-01

Despite the extensive use of seismic regional waves in seismic event identification and attenuation tomography, very little is known on how seismic sources radiate energy into these waves. For example, whether regional Lg wave has the same source spectrum as that of the local S has been questioned by Harr et al. and Frenkel et al. three decades ago; many current investigators assume source spectra in Lg, Sn, Pg, Pn and Lg coda waves have either the same or very similar corner frequencies, in contrast to local P and S spectra whose corner frequencies differ. The most complete information on how the finite source ruptures radiate energy into regional waves is contained in the time domain source time functions (STFs). To estimate the STFs of regional waves using the empirical Green's function (EGF) method, we have been substantially modifying a semi-automotive computer procedure to cope with the increasingly diverse and inconsistent naming patterns of new data files from the IRIS DMC. We are applying the modified procedure to many earthquakes in central Asia to study the STFs of various regional waves to see whether they have the same durations and pulse shapes, and how frequently source directivity occur. When applicable, we also examine the differences between STFs of local P and S waves and those of regional waves. The result of these analyses will be presented at the meeting.

Orthogonality of embedded wave functions for different states in frozen-density embedding theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zech, Alexander; Wesolowski, Tomasz A.; Aquilante, Francesco

2015-10-28

Other than lowest-energy stationary embedded wave functions obtained in Frozen-Density Embedding Theory (FDET) [T. A. Wesolowski, Phys. Rev. A 77, 012504 (2008)] can be associated with electronic excited states but they can be mutually non-orthogonal. Although this does not violate any physical principles — embedded wave functions are only auxiliary objects used to obtain stationary densities — working with orthogonal functions has many practical advantages. In the present work, we show numerically that excitation energies obtained using conventional FDET calculations (allowing for non-orthogonality) can be obtained using embedded wave functions which are strictly orthogonal. The used method preserves the mathematicalmore » structure of FDET and self-consistency between energy, embedded wave function, and the embedding potential (they are connected through the Euler-Lagrange equations). The orthogonality is built-in through the linearization in the embedded density of the relevant components of the total energy functional. Moreover, we show formally that the differences between the expectation values of the embedded Hamiltonian are equal to the excitation energies, which is the exact result within linearized FDET. Linearized FDET is shown to be a robust approximation for a large class of reference densities.« less

Nephelauxetic effect and 〈r(k)〉₄f radial integrals of Tm³⁺ in crystals.

PubMed

Petrov, Dimitar

2015-12-05

Bonding and covalency parameters have been evaluated from the nephelauxetic ratios βk=Fk (crystal)/Fk (free ion), with k=2, 4, 6, for 24 halide and chalcogenide crystals containing Tm(3+) ions. The radial expectation values for 4f electrons 〈r(k)〉4f of Tm(3+) ion in certain complex oxides, fluorides, and a sulfide have been determined by means of experimental Slater parameter shifts ΔFk relative to the Fk values for the free ion Tm IV. The 〈r(k)〉1f values derived in the dielectric screening model have been compared with those computed by different types of 4f wave functions as well as with other estimates. Copyright © 2015 Elsevier B.V. All rights reserved.

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions.

PubMed

Jerke, Jonathan; Poirier, Bill

2018-03-14

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy-i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted-as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions

NASA Astrophysics Data System (ADS)

Jerke, Jonathan; Poirier, Bill

2018-03-01

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

Bumps of the wave structure function in non-Kolmogorov turbulence

NASA Astrophysics Data System (ADS)

Qiao, Chunhong; Lu, Lu; Zhang, Pengfei; Wang, Haitao; Huang, Honghua; Fan, Chengyu

2015-10-01

The analytical expressions for wave structure function of plane and spherical waves are derived both in the viscous dissipation and inertial range. Due to previously research, there is a discrepancy between theoretical results and the experimental datum in viscous dissipation range. In this paper, only considering the inertial range, taking plane waves for example, we give a comparison of results of WSF calculated by the analytical formula obtained in this paper and the numerical calculations of the definition at the fixed parameter (i.e., the generalized exponent α), it can be seen that the two results are in agreement with each other exactly. Based on non-Kolmogorov power spectrum, new characteristics for wave structure function (WSF) have been found for plane and spherical wave models when the different ratio of inner scale l0 and outer scale of turbulence L0 is obtained. In outer scale assumed finite case (i.e., L0 =1m), WSF obtains the maximum when α approximates to 3.3 both for plane and spherical wave models. In outer scale assumed infinite case (i.e., L0 = ∞), the WSF can be sorted into three parts, including two rapid-rising regions (i.e., 3.0 < α < 3.3 and 3.8 < α < 4.0 ) and one gently rising region (i.e., 3.3 < α < 3.8 ).Further, the changes of scaled WSF versus the ratio of separation distance and inner scale ( p/ l0 ) are investigated under mentioned above conditions for two models. In L0 = 1m case, both for plane and spherical waves, the value of α determines the bump position of WSF. In L0 = ∞ case, the bump of scaled WSF disappears when the generalized exponent has large values. The changings of scaled WSF monotonically increase as α increased when the generalized exponent is larger than11/3 for two models. Besides, the properties of spherical waves are similar to plane waves, except which the values of WSF and the scaled WSF are smaller than plane ones.

The application of the Wigner Distribution to wave type identification in finite length beams

NASA Technical Reports Server (NTRS)

Wahl, T. J.; Bolton, J. Stuart

1994-01-01

The object of the research described in this paper was to develop a means of identifying the wave-types propagating between two points in a finite length beam. It is known that different structural wave-types possess different dispersion relations: i.e., that their group speeds and the frequency dependence of their group speeds differ. As a result of those distinct dispersion relationships, different wave-types may be associated with characteristic features when structural responses are examined in the time frequency domain. Previously, the time-frequency character of analytically generated structural responses of both single element and multi-element structures were examined by using the Wigner Distribution (WD) along with filtering techniques that were designed to detect the wave-types present in the responses. In the work to be described here, the measure time-frequency response of finite length beam is examined using the WD and filtering procedures. This paper is organized as follows. First the concept of time-frequency analysis of structural responses is explained. The WD is then introduced along with a description of the implementation of a discrete version. The time-frequency filtering techniques are then presented and explained. The results of applying the WD and the filtering techniques to the analysis of a transient response is then presented.

Protective measurement of the wave function of a single squeezed harmonic-oscillator state

NASA Astrophysics Data System (ADS)

Alter, Orly; Yamamoto, Yoshihisa

1996-05-01

A scheme for the "protective measurement"

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

PubMed

West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

2017-02-09

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the juxtaposed nonbonded quasi-atoms and a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions, and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. The theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.

Boundary condition determined wave functions for the ground states of one- and two-electron homonuclear molecules

NASA Astrophysics Data System (ADS)

Patil, S. H.; Tang, K. T.; Toennies, J. P.

1999-10-01

Simple analytical wave functions satisfying appropriate boundary conditions are constructed for the ground states of one-and two-electron homonuclear molecules. Both the asymptotic condition when one electron is far away and the cusp condition when the electron coalesces with a nucleus are satisfied by the proposed wave function. For H2+, the resulting wave function is almost identical to the Guillemin-Zener wave function which is known to give very good energies. For the two electron systems H2 and He2++, the additional electron-electron cusp condition is rigorously accounted for by a simple analytic correlation function which has the correct behavior not only for r12→0 and r12→∞ but also for R→0 and R→∞, where r12 is the interelectronic distance and R, the internuclear distance. Energies obtained from these simple wave functions agree within 2×10-3 a.u. with the results of the most sophisticated variational calculations for all R and for all systems studied. This demonstrates that rather simple physical considerations can be used to derive very accurate wave functions for simple molecules thereby avoiding laborious numerical variational calculations.

Receiver Functions From Regional and Near-Teleseismic P Waves

NASA Astrophysics Data System (ADS)

Park, J.; Levin, V.

2001-05-01

P waves from regional-distance earthquakes are complex and reverberatory, as would be expected from a combination of head waves, post-critical crustal reflections and shallow-incident P from the upper mantle. Although developed to analyze steeply-incident teleseismic P waves, receiver function analysis can also retrieve information about crustal structure from regional and near-teleseismic P. Using a new method to estimate receiver functions, based on multiple-taper spectral analysis, regional-distance RFs for GSN stations RAYN and ANTO show broad agreement with teleseismic RFs. At RAYN the moveout of the Moho-converted Ps phase, relative to direct P, follows well the predictions of the IASP91 earth model. The Moho-converted Ps phase shows complexity associated with the transition-zone triplication near Δ =20o and constant delay (zero moveout) as Δ -> 0, consistent with conversion from Pn. Similar behavior is seen for ANTO for events that arrive from the west. For eastern backazimuths the ANTO RFs show features whose moveout is negative as Δ -> 0. This moveout is poorly fit by reverberations in flat layers or by direct scattering from a dipping interface, but is consistent with a topographic scatterer 20--30 km eastward of the ANTO site. Regional receiver functions may therefore be useful in judging whether teleseismic RFs at a particular station are suitable candidates for a 1-D velocity structure inversion. Synthetic seismograms of regional P phases, computed with a locked-mode reflectivity approach, confirm broad features of the RAYN and ANTO regional receiver functions.

Exact density functional and wave function embedding schemes based on orbital localization

NASA Astrophysics Data System (ADS)

Hégely, Bence; Nagy, Péter R.; Ferenczy, György G.; Kállay, Mihály

2016-08-01

Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up the system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.

Investigation of Solitary wave solutions for Vakhnenko-Parkes equation via exp-function and Exp(-ϕ(ξ))-expansion method.

PubMed

Roshid, Harun-Or; Kabir, Md Rashed; Bhowmik, Rajandra Chadra; Datta, Bimal Kumar

2014-01-01

In this paper, we have described two dreadfully important methods to solve nonlinear partial differential equations which are known as exp-function and the exp(-ϕ(ξ)) -expansion method. Recently, there are several methods to use for finding analytical solutions of the nonlinear partial differential equations. The methods are diverse and useful for solving the nonlinear evolution equations. With the help of these methods, we are investigated the exact travelling wave solutions of the Vakhnenko- Parkes equation. The obtaining soliton solutions of this equation are described many physical phenomena for weakly nonlinear surface and internal waves in a rotating ocean. Further, three-dimensional plots of the solutions such as solitons, singular solitons, bell type solitary wave i.e. non-topological solitons solutions and periodic solutions are also given to visualize the dynamics of the equation.

Rayleigh wave behavior in functionally graded magneto-electro-elastic material

NASA Astrophysics Data System (ADS)

Ezzin, Hamdi; Mkaoir, Mohamed; Amor, Morched Ben

2017-12-01

Piezoelectric-piezomagnetic functionally graded materials, with a gradual change of the mechanical and electromagnetic properties have greatly applying promises. Based on the ordinary differential equation and stiffness matrix methods, a dynamic solution is presented for the propagation of the wave on a semi-infinite piezomagnetic substrate covered with a functionally graded piezoelectric material (FGPM) layer. The materials properties are assumed to vary in the direction of the thickness according to a known variation law. The phase and group velocity of the Rayleigh wave is numerically calculated for the magneto-electrically open and short cases, respectively. The effect of gradient coefficients on the phase velocity, group velocity, coupled magneto-electromechanical factor, on the stress fields, the magnetic potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the hetero-structure PZT-5A/CoFe2O4; the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Rayleigh wave propagation behavior.

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

DOE PAGES

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.; ...

2017-01-30

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Excited states from quantum Monte Carlo in the basis of Slater determinants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Humeniuk, Alexander; Mitrić, Roland, E-mail: roland.mitric@uni-wuerzburg.de

2014-11-21

Building on the full configuration interaction quantum Monte Carlo (FCIQMC) algorithm introduced recently by Booth et al. [J. Chem. Phys. 131, 054106 (2009)] to compute the ground state of correlated many-electron systems, an extension to the computation of excited states (exFCIQMC) is presented. The Hilbert space is divided into a large part consisting of pure Slater determinants and a much smaller orthogonal part (the size of which is controlled by a cut-off threshold), from which the lowest eigenstates can be removed efficiently. In this way, the quantum Monte Carlo algorithm is restricted to the orthogonal complement of the lower excitedmore » states and projects out the next highest excited state. Starting from the ground state, higher excited states can be found one after the other. The Schrödinger equation in imaginary time is solved by the same population dynamics as in the ground state algorithm with modified probabilities and matrix elements, for which working formulae are provided. As a proof of principle, the method is applied to lithium hydride in the 3-21G basis set and to the helium dimer in the aug-cc-pVDZ basis set. It is shown to give the correct electronic structure for all bond lengths. Much more testing will be required before the applicability of this method to electron correlation problems of interesting size can be assessed.« less

Modeling the Pulse Signal by Wave-Shape Function and Analyzing by Synchrosqueezing Transform.

PubMed

Wu, Hau-Tieng; Wu, Han-Kuei; Wang, Chun-Li; Yang, Yueh-Lung; Wu, Wen-Hsiang; Tsai, Tung-Hu; Chang, Hen-Hong

2016-01-01

We apply the recently developed adaptive non-harmonic model based on the wave-shape function, as well as the time-frequency analysis tool called synchrosqueezing transform (SST) to model and analyze oscillatory physiological signals. To demonstrate how the model and algorithm work, we apply them to study the pulse wave signal. By extracting features called the spectral pulse signature, and based on functional regression, we characterize the hemodynamics from the radial pulse wave signals recorded by the sphygmomanometer. Analysis results suggest the potential of the proposed signal processing approach to extract health-related hemodynamics features.

Dynamic of Langmuir and Ion-Sound Waves in Type 3 Solar Radio Sources

NASA Technical Reports Server (NTRS)

Robinson, P. A.; Willes, A. J.; Cairns, I. H.

1993-01-01

The evolution of Langmuir and ion-sound waves in type 3 sources is investigated, incorporating linear growth, linear damping, and nonlinear electrostatic decay. Improved estimates are obtained for the wavenumber range of growing waves and the nonlinear coupling coefficient for the decay process. The resulting prediction for the electrostatic decay threshold is consistent with the observed high-field cutoff in the Langmuir field distribution. It is shown that the conditions in the solar wind do not allow a steady state to be attained; rather, bursty linear and nonlinear interactions take place, consistent with the highly inhomogeneous and impulsive waves actually observed. Nonlinear growth is found to be fast enough to saturate the growth of the parent Langmuir waves in the available interaction time. The resulting levels of product Langmuir and ion-sound waves are estimated theoretically and shown to be consistent with in situ ISEE 3 observations of type 3 events at 1 AU. Nonlinear interactions slave the growth and decay of product sound waves to that of the product Langmuir waves. The resulting probability distribution of ion-sound field strengths is predicted to have a flat tail extending to a high-field cutoff. This prediction is consistent with statistics derived here from ISEE 3 observations. Agreement is also found between the frequencies of the observed waves and predictions for the product S waves. The competing processes of nonlinear wave collapse and quasilinear relaxation are discussed, and it is concluded that neither is responsible for the saturation of Langmuir growth. When wave and beam inhomogeneities are accounted for, arguments from quasi-linear relaxation yield an upper bound on the Langmuir fields that is too high to be relevant. Nor are the criteria for direct wave collapse of the beam-driven waves met, consistent with earlier simulation results that imply that this process is not responsible for saturation of the beam instability. Indeed, even

Bayesian extraction of the parton distribution amplitude from the Bethe-Salpeter wave function

NASA Astrophysics Data System (ADS)

Gao, Fei; Chang, Lei; Liu, Yu-xin

2017-07-01

We propose a new numerical method to compute the parton distribution amplitude (PDA) from the Euclidean Bethe-Salpeter wave function. The essential step is to extract the weight function in the Nakanishi representation of the Bethe-Salpeter wave function in Euclidean space, which is an ill-posed inversion problem, via the maximum entropy method (MEM). The Nakanishi weight function as well as the corresponding light-front parton distribution amplitude (PDA) can be well determined. We confirm prior work on PDA computations, which was based on different methods.

Strong Measurements Give a Better Direct Measurement of the Quantum Wave Function.

PubMed

Vallone, Giuseppe; Dequal, Daniele

2016-01-29

Weak measurements have thus far been considered instrumental in the so-called direct measurement of the quantum wave function [4J. S. Lundeen, Nature (London) 474, 188 (2011).]. Here we show that a direct measurement of the wave function can be obtained by using measurements of arbitrary strength. In particular, in the case of strong measurements, i.e., those in which the coupling between the system and the measuring apparatus is maximum, we compared the precision and the accuracy of the two methods, by showing that strong measurements outperform weak measurements in both for arbitrary quantum states in most cases. We also give the exact expression of the difference between the original and reconstructed wave function obtained by the weak measurement approach; this will allow one to define the range of applicability of such a method.

Ocean wave-radar modulation transfer functions from the West Coast experiment

NASA Technical Reports Server (NTRS)

Wright, J. W.; Plant, W. J.; Keller, W. C.; Jones, W. L.

1980-01-01

Short gravity-capillary waves, the equilibrium, or the steady state excitations of the ocean surface are modulated by longer ocean waves. These short waves are the predominant microwave scatterers on the ocean surface under many viewing conditions so that the modulation is readily measured with CW Doppler radar used as a two-scale wave probe. Modulation transfer functions (the ratio of the cross spectrum of the line-of-sight orbital speed and backscattered microwave power to the autospectrum of the line-of-sight orbital speed) were measured at 9.375 and 1.5 GHz (Bragg wavelengths of 2.3 and 13 cm) for winds up to 10 m/s and ocean wave periods from 2-18 s. The measurements were compared with the relaxation-time model; the principal result is that a source of modulation other than straining by the horizontal component of orbital speed, possibly the wave-induced airflow, is responsible for most of the modulation by waves of typical ocean wave period (10 s). The modulations are large; for unit coherence, spectra of radar images of deep-water waves should be proportional to the quotient of the slope spectra of the ocean waves by the ocean wave frequency.

Full-wave and half-wave rectification in second-order motion perception

NASA Technical Reports Server (NTRS)

Solomon, J. A.; Sperling, G.

1994-01-01

Microbalanced stimuli are dynamic displays which do not stimulate motion mechanisms that apply standard (Fourier-energy or autocorrelational) motion analysis directly to the visual signal. In order to extract motion information from microbalanced stimuli, Chubb and Sperling [(1988) Journal of the Optical Society of America, 5, 1986-2006] proposed that the human visual system performs a rectifying transformation on the visual signal prior to standard motion analysis. The current research employs two novel types of microbalanced stimuli: half-wave stimuli preserve motion information following half-wave rectification (with a threshold) but lose motion information following full-wave rectification; full-wave stimuli preserve motion information following full-wave rectification but lose motion information following half-wave rectification. Additionally, Fourier stimuli, ordinary square-wave gratings, were used to stimulate standard motion mechanisms. Psychometric functions (direction discrimination vs stimulus contrast) were obtained for each type of stimulus when presented alone, and when masked by each of the other stimuli (presented as moving masks and also as nonmoving, counterphase-flickering masks). RESULTS: given sufficient contrast, all three types of stimulus convey motion. However, only one-third of the population can perceive the motion of the half-wave stimulus. Observers are able to process the motion information contained in the Fourier stimulus slightly more efficiently than the information in the full-wave stimulus but are much less efficient in processing half-wave motion information. Moving masks are more effective than counterphase masks at hampering direction discrimination, indicating that some of the masking effect is interference between motion mechanisms, and some occurs at earlier stages. When either full-wave and Fourier or half-wave and Fourier gratings are presented simultaneously, there is a wide range of relative contrasts within which the

The relationship between loudness intensity functions and the click-ABR wave V latency.

PubMed

Serpanos, Y C; O'Malley, H; Gravel, J S

1997-10-01

To assess the relationship of loudness growth and the click-evoked auditory brain stem response (ABR) wave V latency-intensity function (LIF) in listeners with normal hearing or cochlear hearing loss. The effect of hearing loss configuration on the intensity functions was also examined. Behavioral and electrophysiological intensity functions were obtained using click stimuli of comparable intensities in listeners with normal hearing (Group I; n = 10), and cochlear hearing loss of flat (Group II; n = 10) or sloping (Group III; n = 10) configurations. Individual intensity functions were obtained from measures of loudness growth using the psychophysical methods of absolute magnitude estimation and production of loudness (geometrically averaged to provide the measured loudness function), and from the wave V latency measures of the ABR. Slope analyses for the behavioral and electrophysiological intensity functions were separately performed by group. The loudness growth functions for the groups with cochlear hearing loss approximated the normal function at high intensities, with overall slope values consistent with those reported from previous psychophysical research. The ABR wave V LIF for the group with a flat configuration of cochlear hearing loss approximated the normal function at high intensities, and was displaced parallel to the normal function for the group with sloping configuration. The relationship between the behavioral and electrophysiological intensity functions was examined at individual intensities across the range of the functions for each subject. A significant relationship was obtained between loudness and the ABR wave V LIFs for the groups with normal hearing and flat configuration of cochlear hearing loss; the association was not significant (p = 0.10) for the group with a sloping configuration of cochlear hearing loss. The results of this study established a relationship between loudness and the ABR wave V latency for listeners with normal hearing

Rogue Waves and Lump Solitons of the (3+1)-Dimensional Generalized B-type Kadomtsev-Petviashvili Equation for Water Waves

NASA Astrophysics Data System (ADS)

Sun, Yan; Tian, Bo; Liu, Lei; Chai, Han-Peng; Yuan, Yu-Qiang

2017-12-01

In this paper, the (3+1)-dimensional generalized B-type Kadomtsev-Petviashvili equation for water waves is investigated. Through the Hirota method and Kadomtsev-Petviashvili hierarchy reduction, we obtain the first-order, higher-order, multiple rogue waves and lump solitons based on the solutions in terms of the Gramian. The first-order rogue waves are the line rogue waves which arise from the constant background and then disappear into the constant background again, while the first-order lump solitons propagate stably. Interactions among several first-order rogue waves which are described by the multiple rogue waves are presented. Elastic interactions of several first-order lump solitons are also presented. We find that the higher-order rogue waves and lump solitons can be treated as the superpositions of several first-order ones, while the interaction between the second-order lump solitons is inelastic. Supported by the National Natural Science Foundation of China under Grant Nos. 11772017, 11272023, and 11471050, by the Open Fund of State Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), China (IPOC: 2017ZZ05), and by the Fundamental Research Funds for the Central Universities of China under Grant No. 2011BUPTYB02

P-wave dispersion: relationship to left ventricular function in sickle cell anaemia.

PubMed

Oguanobi, N I; Onwubere, B J; Ike, S O; Anisiuba, B C; Ejim, E C; Ibegbulam, O G

2011-01-01

The prognostic implications of P-wave dispersion in patients with a variety of cardiac disease conditions are increasingly being recognised. The relationship between P-wave dispersion and left ventricular function in sickle cell anaemia is unknown. This study was aimed at evaluating the relationship between P-wave dispersion and left ventricular function in adult Nigerian sickle cell anaemia patients. Between February and August 2007, a total of 62 sickle cell anaemia patients (aged 18-44 years; mean 28.27 ± 5.58) enrolled in the study. These were drawn from patients attending the adult sickle cell clinic of the University of Nigeria Teaching Hospital, Ituku-Ozalla, Enugu. An equal number of age- and gender-matched normal subjects served as controls. All the participants were evaluated with electrocardiography and echocardiography. P-wave dispersion was defined as the difference between the maximum and minimum P-wave duration measured in a 12-lead electrocardiogram. P-wave duration and P-wave dispersion were significantly higher in patients than in controls. Significant correlation was demonstrated between P-wave dispersion and age in the patients (r = 0.387; p = 0.031). A comparison of subsets of sickle cell anaemia patients and controls with comparable haematocrit values (30-35%) showed significantly higher P-wave duration and P-wave dispersion in the patients than in the controls. The P-wave duration in patients and controls, respectively, was 111.10 ± 14.53 ms and 89.14 ± 16.45 ms (t = 3.141; p = 0.006). P-wave dispersion was 64.44 ± 15.86 ms in the patients and 36.43 ± 10.35 ms in the controls (t = 2.752; p = 0.013). Significant negative correlation was found between P-wave dispersion and left ventricular transmitral E/A ratio (r = -0.289; p = 0.023). These findings suggest that P-wave dispersion could be useful in the evaluation of sickle cell patients with left ventricular diastolic dysfunction. Further prospective studies are recommended to evaluate

Using the Screened Coulomb Potential to Illustrate the Variational Method

ERIC Educational Resources Information Center

Zuniga, Jose; Bastida, Adolfo; Requena, Alberto

2012-01-01

The screened Coulomb potential, or Yukawa potential, is used to illustrate the application of the single and linear variational methods. The trial variational functions are expressed in terms of Slater-type functions, for which the integrals needed to carry out the variational calculations are easily evaluated in closed form. The variational…

Spherical shock waves in general relativity

NASA Astrophysics Data System (ADS)

Nutku, Y.

1991-11-01

We present the metric appropriate to a spherical shock wave in the framework of general relativity. This is a Petrov type-N vacuum solution of the Einstein field equations where the metric is continuous across the shock and the Riemann tensor suffers a step-function discontinuity. Spherical gravitational waves are described by type-N Robinson-Trautman metrics. However, for shock waves the Robinson-Trautman solutions are unacceptable because the metric becomes discontinuous in the Robinson-Trautman coordinate system. Other coordinate systems that have so far been introduced for describing Robinson-Trautman solutions also suffer from the same defect. We shall present the C0-form of the metric appropriate to spherical shock waves using Penrose's approach of identification with warp. Further extensions of Penrose's method yield accelerating, as well as coupled electromagnetic-gravitational shock-wave solutions.

Ion Acoustic Wave Frequencies and Onset Times During Type 3 Solar Radio Bursts

NASA Technical Reports Server (NTRS)

Cairns, Iver H.; Robinson, P. A.

1995-01-01

Conflicting interpretations exist for the low-frequency ion acoustic (S) waves often observed by ISEE 3 in association with intense Langmuir (L) waves in the source regions of type III solar radio bursts near 1 AU. Two indirect lines of observational evidence, as well as plasma theory, suggest they are produced by the electrostatic (ES) decay L yields L(PRIME) + S. However, contrary to theoretical predictions, an existing analysis of the wave frequencies instead favors the electromagnetic (EM) decays L yields T + S, where T denotes an EM wave near the plasma frequency. This conflict is addressed here by comparing the observed wave frequencies and onset times with theoretical predictions for the ES and EM decays, calculated using the time-variable electron beam and magnetic field orientation data, rather than the nominal values used previously. Field orientation effects and beam speed variations are shown analytically to produce factor-of-three effects, greater than the difference in wave frequencies predicted for the ES and EM decays; effects of similar magnitude occur in the events analyzed here. The S-wave signals are extracted by hand from a sawtooth noise background, greatly improving the association between S waves and intense L waves. Very good agreement exists between the time-varying predictions for the ES decay and the frequencies of most (but not all) wave bursts. The waves occur only after the ES decay becomes kinematically allowed, which is consistent with the ES decay proceeding and producing most of the observed signals. Good agreement exists between the EM decay's predictions and a significant fraction of the S-wave observations while the EM decay is kinematically allowed. The wave data are not consistent, however, with the EM decay being the dominant nonlinear process. Often the observed waves are sufficiently broadband to overlap simultaneously the frequency ranges predicted for the ES and EM decays. Coupling the dominance of the ES decay with this

Conformal field theory construction for non-Abelian hierarchy wave functions

NASA Astrophysics Data System (ADS)

Tournois, Yoran; Hermanns, Maria

2017-12-01

The fractional quantum Hall effect is the paradigmatic example of topologically ordered phases. One of its most fascinating aspects is the large variety of different topological orders that may be realized, in particular non-Abelian ones. Here we analyze a class of non-Abelian fractional quantum Hall model states which are generalizations of the Abelian Haldane-Halperin hierarchy. We derive their topological properties and show that the quasiparticles obey non-Abelian fusion rules of type su (q)k . For a subset of these states we are able to derive the conformal field theory description that makes the topological properties—in particular braiding—of the state manifest. The model states we study provide explicit wave functions for a large variety of interesting topological orders, which may be relevant for certain fractional quantum Hall states observed in the first excited Landau level.

Statistical properties and correlation functions for drift waves

NASA Technical Reports Server (NTRS)

Horton, W.

1986-01-01

The dissipative one-field drift wave equation is solved using the pseudospectral method to generate steady-state fluctuations. The fluctuations are analyzed in terms of space-time correlation functions and modal probability distributions. Nearly Gaussian statistics and exponential decay of the two-time correlation functions occur in the presence of electron dissipation, while in the absence of electron dissipation long-lived vortical structures occur. Formulas from renormalized, Markovianized statistical turbulence theory are given in a local approximation to interpret the dissipative turbulence.

Analyses of Third Order Bose-Einstein Correlation by Means of Coulomb Wave Function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Biyajima, Minoru; Mizoguchi, Takuya; Suzuki, Naomichi

2006-04-11

In order to include a correction by the Coulomb interaction in Bose-Einstein correlation (BEC), the wave function for the Coulomb scattering were introduced in the quantum optical approach to BEC in the previous work. If we formulate the amplitude written by Coulomb wave functions according to the diagram for BEC in the plane wave formulation, the formula for 3{pi} -BEC becomes simpler than that of our previous work. We re-analyze the raw data of 3{pi} -BEC by NA44 and STAR Collaborations by this formula. Results are compared with the previous ones.

Modeling the Pulse Signal by Wave-Shape Function and Analyzing by Synchrosqueezing Transform

PubMed Central

Wang, Chun-Li; Yang, Yueh-Lung; Wu, Wen-Hsiang; Tsai, Tung-Hu; Chang, Hen-Hong

2016-01-01

We apply the recently developed adaptive non-harmonic model based on the wave-shape function, as well as the time-frequency analysis tool called synchrosqueezing transform (SST) to model and analyze oscillatory physiological signals. To demonstrate how the model and algorithm work, we apply them to study the pulse wave signal. By extracting features called the spectral pulse signature, and based on functional regression, we characterize the hemodynamics from the radial pulse wave signals recorded by the sphygmomanometer. Analysis results suggest the potential of the proposed signal processing approach to extract health-related hemodynamics features. PMID:27304979

Electromagnetic van Kampen waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ignatov, A. M., E-mail: aign@fpl.gpi.ru

2017-01-15

The theory of van Kampen waves in plasma with an arbitrary anisotropic distribution function is developed. The obtained solutions are explicitly expressed in terms of the permittivity tensor. There are three types of perturbations, one of which is characterized by the frequency dependence on the wave vector, while for the other two, the dispersion relation is lacking. Solutions to the conjugate equations allowing one to solve the initial value problem are analyzed.

Adiabatic corrections to density functional theory energies and wave functions.

PubMed

Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas

2008-09-25

The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT.

Modulation transfer function of a fish-eye lens based on the sixth-order wave aberration theory.

PubMed

Jia, Han; Lu, Lijun; Cao, Yiqing

2018-01-10

A calculation program of the modulation transfer function (MTF) of a fish-eye lens is developed with the autocorrelation method, in which the sixth-order wave aberration theory of ultra-wide-angle optical systems is used to simulate the wave aberration distribution at the exit pupil of the optical systems. The autocorrelation integral is processed with the Gauss-Legendre integral, and the magnification chromatic aberration is discussed to calculate polychromatic MTF. The MTF calculation results of a given example are then compared with those previously obtained based on the fourth-order wave aberration theory of plane-symmetrical optical systems and with those from the Zemax program. The study shows that MTF based on the sixth-order wave aberration theory has satisfactory calculation accuracy even for a fish-eye lens with a large acceptance aperture. And the impacts of different types of aberrations on the MTF of a fish-eye lens are analyzed. Finally, we apply the self-adaptive and normalized real-coded genetic algorithm and the MTF developed in the paper to optimize the Nikon F/2.8 fish-eye lens; consequently, the optimized system shows better MTF performances than those of the original design.

Quantifying Wave Breaking Shape and Type in the Surf-Zone Using LiDAR

NASA Astrophysics Data System (ADS)

Albright, A.; Brodie, K. L.; Hartzell, P. J.; Glennie, C. L.

2017-12-01

Waves change shape as they shoal and break across the surf-zone, ultimately dissipating and transferring their energy into turbulence by either spilling or plunging. This injection of turbulence and changes in wave shape can affect the direction of sediment transport at the seafloor, and ultimately lead to morphological evolution. Typical methods for collecting wave data in the surf-zone include in-situ pressure gauges, velocimeters, ultrasonic sensors, and video imagery. Drawbacks to these data collection methods are low spatial resolution of point measurements, reliance on linear theory to calculate sea-surface elevations, and intensive computations required to extract wave properties from stereo 2D imagery. As a result, few field measurements of the shapes of plunging and/or spilling breakers exist, and existing knowledge is confined to results of laboratory studies. We therefore examine the use of a multi-beam scanning Light Detection and Ranging (LiDAR) remote sensing instrument with the goal of classifying the breaking type of propagating waves in the surf-zone and quantitatively determining wave morphometric properties. Data were collected with a Velodyne HDL-32E LiDAR scanner (360° vertical field of view) mounted on an arm of the Coastal Research Amphibious Buggy (CRAB) at the U.S. Army Corps of Engineers Field Research Facility in Duck, North Carolina. Processed laser scan data are used to visualize the lifecycle of a wave (shoaling, breaking, broken) and identify wave types (spilling, plunging, non-breaking) as they pass beneath the scanner. For each rotation of the LiDAR scanner, the point cloud data are filtered, smoothed, and detrended in order to identify individual waves and measure their properties, such as speed, height, period, upward/downward slope, asymmetry, and skewness. The 3D nature of point cloud data is advantageous for research, because it enables viewing from any angle. In our analysis, plan views are used to separate individual waves

Linear Water Waves

NASA Astrophysics Data System (ADS)

Kuznetsov, N.; Maz'ya, V.; Vainberg, B.

2002-08-01

This book gives a self-contained and up-to-date account of mathematical results in the linear theory of water waves. The study of waves has many applications, including the prediction of behavior of floating bodies (ships, submarines, tension-leg platforms etc.), the calculation of wave-making resistance in naval architecture, and the description of wave patterns over bottom topography in geophysical hydrodynamics. The first section deals with time-harmonic waves. Three linear boundary value problems serve as the approximate mathematical models for these types of water waves. The next section uses a plethora of mathematical techniques in the investigation of these three problems. The techniques used in the book include integral equations based on Green's functions, various inequalities between the kinetic and potential energy and integral identities which are indispensable for proving the uniqueness theorems. The so-called inverse procedure is applied to constructing examples of non-uniqueness, usually referred to as 'trapped nodes.'

Revisiting the difference between traveling-wave and standing-wave thermoacoustic engines - A simple analytical model for the standing-wave one

NASA Astrophysics Data System (ADS)

Yasui, Kyuichi; Kozuka, Teruyuki; Yasuoka, Masaki; Kato, Kazumi

2015-11-01

There are two major categories in a thermoacoustic prime-mover. One is the traveling-wave type and the other is the standing-wave type. A simple analytical model of a standing-wave thermoacoustic prime-mover is proposed at relatively low heat-flux for a stack much shorter than the acoustic wavelength, which approximately describes the Brayton cycle. Numerical simulations of Rott's equations have revealed that the work flow (acoustic power) increases by increasing of the amplitude of the particle velocity (| U|) for the traveling-wave type and by increasing cosΦ for the standing-wave type, where Φ is the phase difference between the particle velocity and the acoustic pressure. In other words, the standing-wave type is a phase-dominant type while the traveling-wave type is an amplitude-dominant one. The ratio of the absolute value of the traveling-wave component (| U|cosΦ) to that of the standing-wave component (| U|sinΦ) of any thermoacoustic engine roughly equals the ratio of the absolute value of the increasing rate of | U| to that of cosΦ. The different mechanism between the traveling-wave and the standing-wave type is discussed regarding the dependence of the energy efficiency on the acoustic impedance of a stack as well as that on ωτα, where ω is the angular frequency of an acoustic wave and τα is the thermal relaxation time. While the energy efficiency of the traveling-wave type at the optimal ωτα is much higher than that of the standing-wave type, the energy efficiency of the standing-wave type is higher than that of the traveling-wave type at much higher ωτα under a fixed temperature difference between the cold and the hot ends of the stack.

Imaging Crustal Structure with Waveform and HV Ratio of Body-wave Receiver Function

NASA Astrophysics Data System (ADS)

Chong, J.; Chu, R.; Ni, S.; Meng, Q.; Guo, A.

2017-12-01

It is known that receiver function has less constraint on the absolute velocity, and joint inversion of receiver function and surface wave dispersion has been widely applied to reduce the non-uniqueness of velocity and interface depth. However, some studies indicate that the receiver function itself is capable for determining the absolute shear wave velocity. In this study, we propose to measure the receiver function HV ratio which takes advantage of the amplitude information of the radial and vertical receiver functions to constrain the shear-wave velocity. Numerical analysis indicates that the receiver function HV ratio is sensitive to the average shear wave velocity in the depth range it samples, and can help to reduce the non-uniqueness of receiver function waveform inversion. A joint inversion scheme has been developed, and both synthetic tests and real data application proved the feasibility of the joint inversion. The method has been applied to the dense seismic array of ChinArray program in SE Tibet during the time period from August 2011 to August 2012 in SE Tibet (ChinArray-Himalaya, 2011). The measurements of receiver function HV ratio reveals the lateral variation of the tectonics in of the study region. And main features of the velocity structure imagined by the new joint inversion method are consistent with previous studies. KEYWORDS: receiver function HV ratio, receiver function waveform inversion, crustal structure ReferenceChinArray-Himalaya. 2011. China Seismic Array waveform data of Himalaya Project. Institute of Geophysics, China Earthquake Administration. doi:10.12001/ChinArray.Data. Himalaya. Jiajun Chong, Risheng Chu*, Sidao Ni, Qingjun Meng, Aizhi Guo, 2017. Receiver Function HV Ratio, a New Measurement for Reducing Non-uniqueness of Receiver Function Waveform Inversion. (under revision)

A numerical study of the 3-periodic wave solutions to KdV-type equations

NASA Astrophysics Data System (ADS)

Zhang, Yingnan; Hu, Xingbiao; Sun, Jianqing

2018-02-01

In this paper, by using the direct method of calculating periodic wave solutions proposed by Akira Nakamura, we present a numerical process to calculate the 3-periodic wave solutions to several KdV-type equations: the Korteweg-de Vries equation, the Sawada-Koterra equation, the Boussinesq equation, the Ito equation, the Hietarinta equation and the (2 + 1)-dimensional Kadomtsev-Petviashvili equation. Some detailed numerical examples are given to show the existence of the three-periodic wave solutions numerically.

Type-I and type-II topological nodal superconductors with s -wave interaction

NASA Astrophysics Data System (ADS)

Huang, Beibing; Yang, Xiaosen; Xu, Ning; Gong, Ming

2018-01-01

Topological nodal superconductors with protected gapless points in momentum space are generally realized based on unconventional pairings. In this work we propose a minimal model to realize these topological nodal phases with only s -wave interaction. In our model the linear and quadratic spin-orbit couplings along the two orthogonal directions introduce anisotropic effective unconventional pairings in momentum space. This model may support different nodal superconducting phases characterized by either an integer winding number in BDI class or a Z2 index in D class at the particle-hole invariant axes. In the vicinity of the nodal points the effective Hamiltonian can be described by either type-I or type-II Dirac equations, and the Lifshitz transition from type-I nodal phases to type-II nodal phases can be driven by external in-plane magnetic fields. We show that these nodal phases are robust against weak impurities, which only slightly renormalizes the momentum-independent parameters in the impurity-averaged Hamiltonian, thus these phases are possible to be realized in experiments with real semi-Dirac materials. The smoking-gun evidences to verify these phases based on scanning tunneling spectroscopy method are also briefly discussed.

Spherical shock waves in general relativity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nutku, Y.

1991-11-15

We present the metric appropriate to a spherical shock wave in the framework of general relativity. This is a Petrov type-{ital N} vacuum solution of the Einstein field equations where the metric is continuous across the shock and the Riemann tensor suffers a step-function discontinuity. Spherical gravitational waves are described by type-{ital N} Robinson-Trautman metrics. However, for shock waves the Robinson-Trautman solutions are unacceptable because the metric becomes discontinuous in the Robinson-Trautman coordinate system. Other coordinate systems that have so far been introduced for describing Robinson-Trautman solutions also suffer from the same defect. We shall present the {ital C}{sup 0}-formmore » of the metric appropriate to spherical shock waves using Penrose's approach of identification with warp. Further extensions of Penrose's method yield accelerating, as well as coupled electromagnetic-gravitational shock-wave solutions.« less

Wave Energy Prize -- Carderock Test Design and Rigging to Accommodate Diversity of Device Types

DOE Office of Scientific and Technical Information (OSTI.GOV)

Driscoll, Frederick R

Wave Energy Prize Carderock Test Design and Rigging to Accommodate Diversity of Device Types presentation from the Water Power Technologies Office Peer Review, FY14-FY16. The challenge was to determine testing conditions, develop processing algorithms, and execute tests for equitable and consistent evaluation of different wave energy converter (WEC) technologies.

Quantized Vector Potential and the Photon Wave-function

NASA Astrophysics Data System (ADS)

Meis, C.; Dahoo, P. R.

2017-12-01

The vector potential function {\\overrightarrow{α }}kλ (\\overrightarrow{r},t) for a k-mode and λ-polarization photon, with the quantized amplitude α 0k (ω k ) = ξω k , satisfies the classical wave propagation equation as well as the Schrodinger’s equation with the relativistic massless Hamiltonian \\mathop{H}\\limits∼ =-i\\hslash c\\overrightarrow{\

Observations of the directional distribution of the wind energy input function over swell waves

NASA Astrophysics Data System (ADS)

Shabani, Behnam; Babanin, Alex V.; Baldock, Tom E.

2016-02-01

Field measurements of wind stress over shallow water swell traveling in different directions relative to the wind are presented. The directional distribution of the measured stresses is used to confirm the previously proposed but unverified directional distribution of the wind energy input function. The observed wind energy input function is found to follow a much narrower distribution (β∝cos⁡3.6θ) than the Plant (1982) cosine distribution. The observation of negative stress angles at large wind-wave angles, however, indicates that the onset of negative wind shearing occurs at about θ≈ 50°, and supports the use of the Snyder et al. (1981) directional distribution. Taking into account the reverse momentum transfer from swell to the wind, Snyder's proposed parameterization is found to perform exceptionally well in explaining the observed narrow directional distribution of the wind energy input function, and predicting the wind drag coefficients. The empirical coefficient (ɛ) in Snyder's parameterization is hypothesised to be a function of the wave shape parameter, with ɛ value increasing as the wave shape changes between sinusoidal, sawtooth, and sharp-crested shoaling waves.

Transient difference solutions of the inhomogeneous wave equation - Simulation of the Green's function

NASA Technical Reports Server (NTRS)

Baumeister, K. J.

1983-01-01

A time-dependent finite difference formulation to the inhomogeneous wave equation is derived for plane wave propagation with harmonic noise sources. The difference equation and boundary conditions are developed along with the techniques to simulate the Dirac delta function associated with a concentrated noise source. Example calculations are presented for the Green's function and distributed noise sources. For the example considered, the desired Fourier transformed acoustic pressures are determined from the transient pressures by use of a ramping function and an integration technique, both of which eliminates the nonharmonic pressure associated with the initial transient.

Transient difference solutions of the inhomogeneous wave equation: Simulation of the Green's function

NASA Technical Reports Server (NTRS)

Baumeiste, K. J.

1983-01-01

A time-dependent finite difference formulation to the inhomogeneous wave equation is derived for plane wave propagation with harmonic noise sources. The difference equation and boundary conditions are developed along with the techniques to simulate the Dirac delta function associated with a concentrated noise source. Example calculations are presented for the Green's function and distributed noise sources. For the example considered, the desired Fourier transformed acoustic pressures are determined from the transient pressures by use of a ramping function and an integration technique, both of which eliminates the nonharmonic pressure associated with the initial transient.

Truncated Calogero-Sutherland models

NASA Astrophysics Data System (ADS)

Pittman, S. M.; Beau, M.; Olshanii, M.; del Campo, A.

2017-05-01

A one-dimensional quantum many-body system consisting of particles confined in a harmonic potential and subject to finite-range two-body and three-body inverse-square interactions is introduced. The range of the interactions is set by truncation beyond a number of neighbors and can be tuned to interpolate between the Calogero-Sutherland model and a system with nearest and next-nearest neighbors interactions discussed by Jain and Khare. The model also includes the Tonks-Girardeau gas describing impenetrable bosons as well as an extension with truncated interactions. While the ground state wave function takes a truncated Bijl-Jastrow form, collective modes of the system are found in terms of multivariable symmetric polynomials. We numerically compute the density profile, one-body reduced density matrix, and momentum distribution of the ground state as a function of the range r and the interaction strength.

Parameter Governing of Wave Resonance in Water Chamber and Its Application

NASA Astrophysics Data System (ADS)

Husain, F.; Alie, M. Z. M.; Rahman, T.

2018-04-01

It has become known that the oscillating water column (OWC) device is very popular as one of wave energy extraction facilities installed in coastal and ocean structures. However, it has not been clarified sufficiently how to obtain an effective cross section design of the structure until now. This paper describes theoretical procedure to yield effective cross section of water chamber type of sea wall, which is similar to the OWC type structure in relation to wave period or wave length. The water chamber type sea wall has a water chamber partitioned by a curtain wall installed in front of part of the structure. This type of sea wall also can be applied to extract wave power same as of OWC function. When the wave conditions on site are known, the dimensions especially the breadth of water chamber type sea wall can be determined.

A novel function of WAVE in lamellipodia: WAVE1 is required for stabilization of lamellipodial protrusions during cell spreading.

PubMed

Yamazaki, Daisuke; Fujiwara, Takashi; Suetsugu, Shiro; Takenawa, Tadaomi

2005-05-01

When a cell spreads and moves, reorganization of the actin cytoskeleton pushes the cell membrane, and the resulting membrane protrusions create new points of contact with the substrate and generate the locomotive force. Membrane extension and adhesion to a substrate must be tightly coordinated for effective cell movement, but little is known about the mechanisms underlying these processes. WAVEs are critical regulators of Rac-induced actin reorganization. WAVE2 is essential for formation of lamellipodial structures at the cell periphery stimulated by growth factors, but it is thought that WAVE1 is dispensable for such processes in mouse embryonic fibroblasts (MEFs). Here we show a novel function of WAVE in lamellipodial protrusions during cell spreading. During spreading on fibronectin (FN), MEFs with knockouts (KOs) of WAVE1 and WAVE2 showed different membrane dynamics, suggesting that these molecules have distinct roles in lamellipodium formation. Formation of lamellipodial structures on FN was inhibited in WAVE2 KO MEFs. In contrast, WAVE1 is not essential for extension of lamellipodial protrusions but is required for stabilization of such structures. WAVE1-deficiency decreased the density of actin filaments and increased the speed of membrane extension, causing deformation of focal complex at the tip of spreading edges. Thus, at the tip of the lamellipodial protrusion, WAVE2 generates the membrane protrusive structures containing actin filaments, and modification by WAVE1 stabilizes these structures through cell-substrate adhesion. Coordination of WAVE1 and WAVE2 activities appears to be necessary for formation of proper actin structures in stable lamellipodia.

Clustering P-Wave Receiver Functions To Constrain Subsurface Seismic Structure

NASA Astrophysics Data System (ADS)

Chai, C.; Larmat, C. S.; Maceira, M.; Ammon, C. J.; He, R.; Zhang, H.

2017-12-01

The acquisition of high-quality data from permanent and temporary dense seismic networks provides the opportunity to apply statistical and machine learning techniques to a broad range of geophysical observations. Lekic and Romanowicz (2011) used clustering analysis on tomographic velocity models of the western United States to perform tectonic regionalization and the velocity-profile clusters agree well with known geomorphic provinces. A complementary and somewhat less restrictive approach is to apply cluster analysis directly to geophysical observations. In this presentation, we apply clustering analysis to teleseismic P-wave receiver functions (RFs) continuing efforts of Larmat et al. (2015) and Maceira et al. (2015). These earlier studies validated the approach with surface waves and stacked EARS RFs from the USArray stations. In this study, we experiment with both the K-means and hierarchical clustering algorithms. We also test different distance metrics defined in the vector space of RFs following Lekic and Romanowicz (2011). We cluster data from two distinct data sets. The first, corresponding to the western US, was by smoothing/interpolation of receiver-function wavefield (Chai et al. 2015). Spatial coherence and agreement with geologic region increase with this simpler, spatially smoothed set of observations. The second data set is composed of RFs for more than 800 stations of the China Digital Seismic Network (CSN). Preliminary results show a first order agreement between clusters and tectonic region and each region cluster includes a distinct Ps arrival, which probably reflects differences in crustal thickness. Regionalization remains an important step to characterize a model prior to application of full waveform and/or stochastic imaging techniques because of the computational expense of these types of studies. Machine learning techniques can provide valuable information that can be used to design and characterize formal geophysical inversion, providing

Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach.

PubMed

Orms, Natalie; Rehn, Dirk R; Dreuw, Andreas; Krylov, Anna I

2018-02-13

Density-based wave function analysis enables unambiguous comparisons of the electronic structure computed by different methods and removes ambiguity of orbital choices. We use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high- and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such as polyradicals. We show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of the bonding pattern.

Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.

PubMed

Gao, Jiali; Grofe, Adam; Ren, Haisheng; Bao, Peng

2016-12-15

A multistate density functional theory (MSDFT) is presented in which the energies and densities for the ground and excited states are treated on the same footing using multiconfigurational approaches. The method can be applied to systems with strong correlation and to correctly describe the dimensionality of the conical intersections between strongly coupled dissociative potential energy surfaces. A dynamic-then-static framework for treating electron correlation is developed to first incorporate dynamic correlation into contracted state functions through block-localized Kohn-Sham density functional theory (KSDFT), followed by diagonalization of the effective Hamiltonian to include static correlation. MSDFT can be regarded as a hybrid of wave function and density functional theory. The method is built on and makes use of the current approximate density functional developed in KSDFT, yet it retains its computational efficiency to treat strongly correlated systems that are problematic for KSDFT but too large for accurate WFT. The results presented in this work show that MSDFT can be applied to photochemical processes involving conical intersections.

Does low intensity extracorporeal shock wave therapy have a physiological effect on erectile function? Short-term results of a randomized, double-blind, sham controlled study.

PubMed

Vardi, Yoram; Appel, Boaz; Kilchevsky, Amichai; Gruenwald, Ilan

2012-05-01

We investigated the clinical and physiological effect of low intensity extracorporeal shock wave therapy on men with organic erectile dysfunction who are phosphodiesterase type 5 inhibitor responders. After a 1-month phosphodiesterase type 5 inhibitor washout period, 67 men were randomized in a 2:1 ratio to receive 12 sessions of low intensity extracorporeal shock wave therapy or sham therapy. Erectile function and penile hemodynamics were assessed before the first treatment (visit 1) and 1 month after the final treatment (followup 1) using validated sexual function questionnaires and venoocclusive strain gauge plethysmography. Clinically we found a significantly greater increase in the International Index of Erectile Function-Erectile Function domain score from visit 1 to followup 1 in the treated group than in the sham treated group (mean ± SEM 6.7 ± 0.9 vs 3.0 ± 1.4, p = 0.0322). There were 19 men in the treated group who were initially unable to achieve erections hard enough for penetration (Erection Hardness Score 2 or less) who were able to achieve erections sufficiently firm for penetration (Erection Hardness Score 3 or greater) after low intensity extracorporeal shock wave therapy, compared to none in the sham group. Physiologically penile hemodynamics significantly improved in the treated group but not in the sham group (maximal post-ischemic penile blood flow 8.2 vs 0.1 ml per minute per dl, p <0.0001). None of the men experienced discomfort or reported any adverse effects from the treatment. This is the first randomized, double-blind, sham controlled study to our knowledge that shows that low intensity extracorporeal shock wave therapy has a positive short-term clinical and physiological effect on the erectile function of men who respond to oral phosphodiesterase type 5 inhibitor therapy. The feasibility and tolerability of this treatment, coupled with its potential rehabilitative characteristics, make it an attractive new therapeutic option for men

Quantifying the Uncertainties and Multi-parameter Trade-offs in Joint Inversion of Receiver Functions and Surface Wave Velocity and Ellipticity

NASA Astrophysics Data System (ADS)

Gao, C.; Lekic, V.

2016-12-01

When constraining the structure of the Earth's continental lithosphere, multiple seismic observables are often combined due to their complementary sensitivities.The transdimensional Bayesian (TB) approach in seismic inversion allows model parameter uncertainties and trade-offs to be quantified with few assumptions. TB sampling yields an adaptive parameterization that enables simultaneous inversion for different model parameters (Vp, Vs, density, radial anisotropy), without the need for strong prior information or regularization. We use a reversible jump Markov chain Monte Carlo (rjMcMC) algorithm to incorporate different seismic observables - surface wave dispersion (SWD), Rayleigh wave ellipticity (ZH ratio), and receiver functions - into the inversion for the profiles of shear velocity (Vs), compressional velocity (Vp), density (ρ), and radial anisotropy (ξ) beneath a seismic station. By analyzing all three data types individually and together, we show that TB sampling can eliminate the need for a fixed parameterization based on prior information, and reduce trade-offs in model estimates. We then explore the effect of different types of misfit functions for receiver function inversion, which is a highly non-unique problem. We compare the synthetic inversion results using the L2 norm, cross-correlation type and integral type misfit function by their convergence rates and retrieved seismic structures. In inversions in which only one type of model parameter (Vs for the case of SWD) is inverted, assumed scaling relationships are often applied to account for sensitivity to other model parameters (e.g. Vp, ρ, ξ). Here we show that under a TB framework, we can eliminate scaling assumptions, while simultaneously constraining multiple model parameters to varying degrees. Furthermore, we compare the performance of TB inversion when different types of model parameters either share the same or use independent parameterizations. We show that different parameterizations

Planetary and tidal wave-type oscillations in the ionospheric sporadic E layers over Tehran region

NASA Astrophysics Data System (ADS)

Karami, K.; Ghader, S.; Bidokhti, A. A.; Joghataei, M.; Neyestani, A.; Mohammadabadi, A.

2012-04-01

It is believed that in the lower ionosphere, particularly in the ionospheric sporadic E (Es) layers (90-130 km), the planetary and tidal wave-type oscillations in the ionized component indicate the planetary and tidal waves in the neutral atmosphere. In the present work, the presence of wave-type oscillations, including planetary and tidal waves in the ionospheric sporadic E layers over Tehran region is examined. Data measured by a digital ionosonde at the ionospheric station of the Institute of Geophysics, University of Tehran, from July 2006 to June 2007 are used to investigate seasonal variations of planetary and tidal waves activities. For the purpose of accurate comparison between different seasons, wavelet transform is applied to time series of foEs and h‧Es, namely, the critical frequency and virtual height of Es layers, respectively. The results show that the sporadic E layers over Tehran region are strongly under the influence of upward propagation of waves from below. More specifically, among diverse range of periodicities in the sporadic E layers, we found that diurnal (24 hours) and semidiurnal (12 hours) oscillations in all seasons for both parameters. Moreover, terdiurnal (8 hours) tide-like variation is observed during spring and summer for foEs parameter and summer and winter for h‧Es. Furthermore, the results show that diurnal tidal waves obtain their maximum activities during autumn and winter seasons, and their activities decrease during the late spring and summer. In addition, periods of about 2, 4, 6, 10, 14, and 16 days in our observation verifies the hypothesis of upward propagation of planetary waves from lower atmosphere to the ionosphere. Moreover, planetary waves have their maximum activities during equinox.

Algebraic Theory of Crystal Vibrations: Localization Properties of Wave Functions in Two-Dimensional Lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dietz, Barbara; Iachello, Francesco; Macek, Michal

The localization properties of the wave functions of vibrations in two-dimensional (2D) crystals are studied numerically for square and hexagonal lattices within the framework of an algebraic model. The wave functions of 2D lattices have remarkable localization properties, especially at the van Hove singularities (vHs). Finite-size sheets with a hexagonal lattice (graphene-like materials), in addition, exhibit at zero energy a localization of the wave functions at zigzag edges, so-called edge states. The striped structure of the wave functions at a vHs is particularly noteworthy. We have investigated its stability and that of the edge states with respect to perturbations inmore » the lattice structure, and the effect of the boundary shape on the localization properties. We find that the stripes disappear instantaneously at the vHs in a square lattice when turning on the perturbation, whereas they broaden but persist at the vHss in a hexagonal lattice. For one of them, they eventually merge into edge states with increasing coupling, which, in contrast to the zero-energy edge states, are localized at armchair edges. The results are corroborated based on participation ratios, obtained under various conditions.« less

Algebraic Theory of Crystal Vibrations: Localization Properties of Wave Functions in Two-Dimensional Lattices

DOE PAGES

Dietz, Barbara; Iachello, Francesco; Macek, Michal

2017-08-07

The localization properties of the wave functions of vibrations in two-dimensional (2D) crystals are studied numerically for square and hexagonal lattices within the framework of an algebraic model. The wave functions of 2D lattices have remarkable localization properties, especially at the van Hove singularities (vHs). Finite-size sheets with a hexagonal lattice (graphene-like materials), in addition, exhibit at zero energy a localization of the wave functions at zigzag edges, so-called edge states. The striped structure of the wave functions at a vHs is particularly noteworthy. We have investigated its stability and that of the edge states with respect to perturbations inmore » the lattice structure, and the effect of the boundary shape on the localization properties. We find that the stripes disappear instantaneously at the vHs in a square lattice when turning on the perturbation, whereas they broaden but persist at the vHss in a hexagonal lattice. For one of them, they eventually merge into edge states with increasing coupling, which, in contrast to the zero-energy edge states, are localized at armchair edges. The results are corroborated based on participation ratios, obtained under various conditions.« less

The five functions of psychological type.

PubMed

Myers, Steve

2016-04-01

From the mid-1930s to the end of his life, Jung complained that most readers misunderstood the main point of his book Psychological Types. He viewed being a type as one-sided and problematic for a variety of reasons. His symbol-based solution to the 'type problem' involved developing a transcendent function to become the new dominant function of consciousness. However, this function has not featured in the popular use of his typology and Isabel Briggs Myers believed that the one-sidedness of Jung's eight types could be balanced by the auxiliary function. This has led to the transcendent function being widely ignored, and to a developmental philosophy that encourages a degree of one-sidedness. This divergence of popular type theory and analytical psychology is the result of various factors, such as Jung describing typology as containing four functions, and a letter in 1950 where Jung apparently supported Myers' version of type theory. This hinders the application of analytical psychology to normal psychology, and particularly individual and cultural development. If we refer to Jung's typology as containing five functions not four, this more accurately represents both the content of the book Psychological Types and the primary value Jung saw in typology. © 2016 John Wiley & Sons Ltd.

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

DOE PAGES

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas; ...

2017-12-21

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Frequency-domain Green's functions for radar waves in heterogeneous 2.5D media

USGS Publications Warehouse

Ellefsen, K.J.; Croize, D.; Mazzella, A.T.; McKenna, J.R.

2009-01-01

Green's functions for radar waves propagating in heterogeneous 2.5D media might be calculated in the frequency domain using a hybrid method. The model is defined in the Cartesian coordinate system, and its electromagnetic properties might vary in the x- and z-directions, but not in the y-direction. Wave propagation in the x- and z-directions is simulated with the finite-difference method, and wave propagation in the y-direction is simulated with an analytic function. The absorbing boundaries on the finite-difference grid are perfectly matched layers that have been modified to make them compatible with the hybrid method. The accuracy of these numerical Greens functions is assessed by comparing them with independently calculated Green's functions. For a homogeneous model, the magnitude errors range from -4.16% through 0.44%, and the phase errors range from -0.06% through 4.86%. For a layered model, the magnitude errors range from -2.60% through 2.06%, and the phase errors range from -0.49% through 2.73%. These numerical Green's functions might be used for forward modeling and full waveform inversion. ?? 2009 Society of Exploration Geophysicists. All rights reserved.

Phase function of a spherical particle when scattering an inhomogeneous electromagnetic plane wave.

PubMed

Frisvad, Jeppe Revall

2018-04-01

In absorbing media, electromagnetic plane waves are most often inhomogeneous. Existing solutions for the scattering of an inhomogeneous plane wave by a spherical particle provide no explicit expressions for the scattering components. In addition, current analytical solutions require evaluation of the complex hypergeometric function F 1 2 for every term of a series expansion. In this work, I develop a simpler solution based on associated Legendre functions with argument zero. It is similar to the solution for homogeneous plane waves but with new explicit expressions for the angular dependency of the far-field scattering components, that is, the phase function. I include recurrence formulas for practical evaluation and provide numerical examples to evaluate how well the new expressions match previous work in some limiting cases. The predicted difference in the scattering phase function due to inhomogeneity is not negligible for light entering an absorbing medium at an oblique angle. The presented theory could thus be useful for predicting scattering behavior in dye-based random lasing and in solar cell absorption enhancement.

Optimization of two-photon wave function in parametric down conversion by adaptive optics control of the pump radiation.

PubMed

Minozzi, M; Bonora, S; Sergienko, A V; Vallone, G; Villoresi, P

2013-02-15

We present an efficient method for optimizing the spatial profile of entangled-photon wave function produced in a spontaneous parametric down conversion process. A deformable mirror that modifies a wavefront of a 404 nm CW diode laser pump interacting with a nonlinear β-barium borate type-I crystal effectively controls the profile of the joint biphoton function. The use of a feedback signal extracted from the biphoton coincidence rate is used to achieve the optimal wavefront shape. The optimization of the two-photon coupling into two, single spatial modes for correlated detection is used for a practical demonstration of this physical principle.

Soliton and quasi-periodic wave solutions for b-type Kadomtsev-Petviashvili equation

NASA Astrophysics Data System (ADS)

Singh, Manjit; Gupta, R. K.

2017-11-01

In this paper, truncated Laurent expansion is used to obtain the bilinear equation of a nonlinear evolution equation. As an application of Hirota's method, multisoliton solutions are constructed from the bilinear equation. Extending the application of Hirota's method and employing multidimensional Riemann theta function, one and two-periodic wave solutions are also obtained in a straightforward manner. The asymptotic behavior of one and two-periodic wave solutions under small amplitude limits is presented, and their relations with soliton solutions are also demonstrated.

A phase space approach to wave propagation with dispersion.

PubMed

Ben-Benjamin, Jonathan S; Cohen, Leon; Loughlin, Patrick J

2015-08-01

A phase space approximation method for linear dispersive wave propagation with arbitrary initial conditions is developed. The results expand on a previous approximation in terms of the Wigner distribution of a single mode. In contrast to this previously considered single-mode case, the approximation presented here is for the full wave and is obtained by a different approach. This solution requires one to obtain (i) the initial modal functions from the given initial wave, and (ii) the initial cross-Wigner distribution between different modal functions. The full wave is the sum of modal functions. The approximation is obtained for general linear wave equations by transforming the equations to phase space, and then solving in the new domain. It is shown that each modal function of the wave satisfies a Schrödinger-type equation where the equivalent "Hamiltonian" operator is the dispersion relation corresponding to the mode and where the wavenumber is replaced by the wavenumber operator. Application to the beam equation is considered to illustrate the approach.

Coherent nonlinear optical studies of elementary processes in biological complexes: diagrammatic techniques based on the wave function versus the density matrix

PubMed Central

Biggs, Jason D.; Voll, Judith A.; Mukamel, Shaul

2012-01-01

Two types of diagrammatic approaches for the design and simulation of nonlinear optical experiments (closed-time path loops based on the wave function and double-sided Feynman diagrams for the density matrix) are presented and compared. We give guidelines for the assignment of relevant pathways and provide rules for the interpretation of existing nonlinear experiments in carotenoids. PMID:22753822

Effect of gradient dielectric coefficient in a functionally graded material (FGM) substrate on the propagation behavior of love waves in an FGM-piezoelectric layered structure.

PubMed

Cao, Xiaoshan; Shi, Junping; Jin, Feng

2012-06-01

The propagation behavior of Love waves in a layered structure that includes a functionally graded material (FGM) substrate carrying a piezoelectric thin film is investigated. Analytical solutions are obtained for both constant and gradient dielectric coefficients in the FGM substrate. Numerical results show that the gradient dielectric coefficient decreases phase velocity in any mode, and the electromechanical coupling factor significantly increases in the first- and secondorder modes. In some modes, the difference in Love waves' phase velocity between these two types of structure might be more than 1%, resulting in significant differences in frequency of the surface acoustic wave devices.

Second-Order Moller-Plesset Perturbation Theory for Molecular Dirac-Hartree-Fock Wave Functions

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.; Arnold, James O. (Technical Monitor)

1994-01-01

Moller-Plesset perturbation theory is developed to second order for a selection of Kramers restricted Dirac-Hartree-Fock closed and open-shell reference wave functions. The open-shell wave functions considered are limited to those with no more than two electrons in open shells, but include the case of a two-configuration SCF reference. Denominator shifts are included in the style of Davidson's OPT2 method. An implementation which uses unordered integrals with labels is presented, and results are given for a few test cases.

Trial wave functions for ring-trapped ions and neutral atoms: Microscopic description of the quantum space-time crystal

NASA Astrophysics Data System (ADS)

Yannouleas, Constantine; Landman, Uzi

2017-10-01

A constructive theoretical platform for the description of quantum space-time crystals uncovers for N interacting and ring-confined rotating particles the existence of low-lying states with proper space-time crystal behavior. The construction of the corresponding many-body trial wave functions proceeds first via symmetry breaking at the mean-field level followed by symmetry restoration using projection techniques. The ensuing correlated many-body wave functions are stationary states and preserve the rotational symmetries, and at the same time they reflect the point-group symmetries of the mean-field crystals. This behavior results in the emergence of sequences of select magic angular momenta Lm. For angular-momenta away from the magic values, the trial functions vanish. Symmetry breaking beyond the mean-field level can be induced by superpositions of such good-Lm many-body stationary states. We show that superposing a pair of adjacent magic angular momenta states leads to formation of special broken-symmetry states exhibiting quantum space-time-crystal behavior. In particular, the corresponding particle densities rotate around the ring, showing undamped and nondispersed periodic crystalline evolution in both space and time. The experimental synthesis of such quantum space-time-crystal wave packets is predicted to be favored in the vicinity of ground-state energy crossings of the Aharonov-Bohm-type spectra accessed via an externally applied, natural or synthetic, magnetic field. These results are illustrated here for Coulomb-repelling fermionic ions and for a lump of contact-interaction attracting bosons.

Winds from Luminous Late-Type Stars: II. Broadband Frequency Distribution of Alfven Waves

NASA Technical Reports Server (NTRS)

Airapetian, V.; Carpenter, K. G.; Ofman, L.

2010-01-01

We present the numerical simulations of winds from evolved giant stars using a fully non-linear, time dependent 2.5-dimensional magnetohydrodynamic (MHD) code. This study extends our previous fully non-linear MHD wind simulations to include a broadband frequency spectrum of Alfven waves that drive winds from red giant stars. We calculated four Alfven wind models that cover the whole range of Alfven wave frequency spectrum to characterize the role of freely propagated and reflected Alfven waves in the gravitationally stratified atmosphere of a late-type giant star. Our simulations demonstrate that, unlike linear Alfven wave-driven wind models, a stellar wind model based on plasma acceleration due to broadband non-linear Alfven waves, can consistently reproduce the wide range of observed radial velocity profiles of the winds, their terminal velocities and the observed mass loss rates. Comparison of the calculated mass loss rates with the empirically determined mass loss rate for alpha Tau suggests an anisotropic and time-dependent nature of stellar winds from evolved giants.

Arterial stiffness and wave reflection: sex differences and relationship with left ventricular diastolic function.

PubMed

Russo, Cesare; Jin, Zhezhen; Palmieri, Vittorio; Homma, Shunichi; Rundek, Tatjana; Elkind, Mitchell S V; Sacco, Ralph L; Di Tullio, Marco R

2012-08-01

Increased arterial stiffness and wave reflection have been reported in heart failure with normal ejection fraction (HFNEF) and in asymptomatic left ventricular (LV) diastolic dysfunction, a precursor of HFNEF. It is unclear whether women, who have higher frequency of HFNEF, are more vulnerable than men to the deleterious effects of arterial stiffness on LV diastolic function. We investigated, in a large community-based cohort, whether sex differences exist in the relationship among arterial stiffness, wave reflection, and LV diastolic function. Arterial stiffness and wave reflection were assessed in 983 participants from the Cardiovascular Abnormalities and Brain Lesions study using applanation tonometry. The central pulse pressure/stroke volume index, total arterial compliance, pulse pressure amplification, and augmentation index were used as parameters of arterial stiffness and wave reflection. LV diastolic function was evaluated by 2-dimensional echocardiography and tissue-Doppler imaging. Arterial stiffness and wave reflection were greater in women compared with men, independent of body size and heart rate (all P<0.01), and showed inverse relationships with parameters of diastolic function in both sexes. Further adjustment for cardiovascular risk factors attenuated these relationships; however, a higher central pulse pressure/stroke volume index predicted LV diastolic dysfunction in women (odds ratio, 1.54; 95% confidence intervals, 1.03 to 2.30) and men (odds ratio, 2.09; 95% confidence interval, 1.30 to 3.39), independent of other risk factors. In conclusion, in our community-based cohort study, higher arterial stiffness was associated with worse LV diastolic function in men and women. Women's higher arterial stiffness, independent of body size, may contribute to their greater susceptibility to develop HFNEF.

Continuity Conditions on Schrodinger Wave Functions at Discontinuities of the Potential.

ERIC Educational Resources Information Center

Branson, David

1979-01-01

Several standard arguments which attempt to show that the wave function and its derivative must be continuous across jump discontinuities of the potential are reviewed and their defects discussed. (Author/HM)

The picosecond structure of ultra-fast rogue waves

NASA Astrophysics Data System (ADS)

Klein, Avi; Shahal, Shir; Masri, Gilad; Duadi, Hamootal; Sulimani, Kfir; Lib, Ohad; Steinberg, Hadar; Kolpakov, Stanislav A.; Fridman, Moti

2018-02-01

We investigated ultrafast rogue waves in fiber lasers and found three different patterns of rogue waves: single- peaks, twin-peaks, and triple-peaks. The statistics of the different patterns as a function of the pump power of the laser reveals that the probability for all rogue waves patterns increase close to the laser threshold. We developed a numerical model which prove that the ultrafast rogue waves patterns result from both the polarization mode dispersion in the fiber and the non-instantaneous nature of the saturable absorber. This discovery reveals that there are three different types of rogue waves in fiber lasers: slow, fast, and ultrafast, which relate to three different time-scales and are governed by three different sets of equations: the laser rate equations, the nonlinear Schrodinger equation, and the saturable absorber equations, accordingly. This discovery is highly important for analyzing rogue waves and other extreme events in fiber lasers and can lead to realizing types of rogue waves which were not possible so far such as triangular rogue waves.

Robust signal recovery using the prolate spherical wave functions and maximum correntropy criterion

NASA Astrophysics Data System (ADS)

Zou, Cuiming; Kou, Kit Ian

2018-05-01

Signal recovery is one of the most important problem in signal processing. This paper proposes a novel signal recovery method based on prolate spherical wave functions (PSWFs). PSWFs are a kind of special functions, which have been proved having good performance in signal recovery. However, the existing PSWFs based recovery methods used the mean square error (MSE) criterion, which depends on the Gaussianity assumption of the noise distributions. For the non-Gaussian noises, such as impulsive noise or outliers, the MSE criterion is sensitive, which may lead to large reconstruction error. Unlike the existing PSWFs based recovery methods, our proposed PSWFs based recovery method employs the maximum correntropy criterion (MCC), which is independent of the noise distribution. The proposed method can reduce the impact of the large and non-Gaussian noises. The experimental results on synthetic signals with various types of noises show that the proposed MCC based signal recovery method has better robust property against various noises compared to other existing methods.

Anatomy of quantum critical wave functions in dissipative impurity problems

NASA Astrophysics Data System (ADS)

Blunden-Codd, Zach; Bera, Soumya; Bruognolo, Benedikt; Linden, Nils-Oliver; Chin, Alex W.; von Delft, Jan; Nazir, Ahsan; Florens, Serge

2017-02-01

Quantum phase transitions reflect singular changes taking place in a many-body ground state; however, computing and analyzing large-scale critical wave functions constitutes a formidable challenge. Physical insights into the sub-Ohmic spin-boson model are provided by the coherent-state expansion (CSE), which represents the wave function by a linear combination of classically displaced configurations. We find that the distribution of low-energy displacements displays an emergent symmetry in the absence of spontaneous symmetry breaking while experiencing strong fluctuations of the order parameter near the quantum critical point. Quantum criticality provides two strong fingerprints in critical low-energy modes: an algebraic decay of the average displacement and a constant universal average squeezing amplitude. These observations, confirmed by extensive variational matrix-product-state (VMPS) simulations and field theory arguments, offer precious clues into the microscopics of critical many-body states in quantum impurity models.

Stress-wave velocity of wood-based panels: effect of moisture, product type, and material direction

Treesearch

Guangping Han; Qinglin Wu; Xiping Wang

2006-01-01

The effect of moisture on longitudinal stress-wave velocity (SWV), bending stiffness. and bending strength of commercial oriented strandboard, plywood. particleboard. and southern pine lumber was evaluated. It was shown that the stress-wave verocity decreased in general with increases in panel moisture content (MC). At a given MC level. SWV varied with panel type and...

Calculated gadolinium atomic electron energy levels and Auger electron emission probability as a function of atomic number Z

NASA Astrophysics Data System (ADS)

Miloshevsky, G. V.; Tolkach, V. I.; Shani, Gad; Rozin, Semion

2002-06-01

Auger electron interaction with matter is gaining importance in particular in medical application of radiation. The production probability and energy spectrum is therefore of great importance. A good source of Auger electrons is the 157Gd(n,γ) 158Gd reaction. The present article describes calculations of electron levels in Gd atoms and provides missing data of outer electron energy levels. The energy of these electron levels missing in published tables, was found to be in the 23-24 and 6-7 eV energy ranges respectively. The probability of Auger emission was calculated as an interaction of wave function of the initial and final electron states. The wave functions were calculated using the Hartree-Fock-Slater approximation with relativistic correction. The equations were solved using a spherical symmetry potential. The error for inner shell level is less than 10%, it is increased to the order of 10-15% for the outer shells. The width of the Auger process changes from 0.1 to 1.2 eV for atomic number Z from 5 to 70. The fluorescence yield width changes five orders of magnitude in this range. Auger electron emission width from the K shell changes from 10 -2 to ˜1 eV with Z changing from 10 to 64, depending on the final state. For the L shell it changes from 0 to 0.25 when it Z changes from 20 to 64.

Combined Resistivity and Shear Wave Velocity Soil-type Estimation Beneath a Coastal Protection Levee.

NASA Astrophysics Data System (ADS)

Lorenzo, J. M.; Goff, D.; Hayashi, K.

2015-12-01

Unconsolidated Holocene deltaic sediments comprise levee foundation soils in New Orleans, USA. Whereas geotechnical tests at point locations are indispensable for evaluating soil stability, the highly variable sedimentary facies of the Mississippi delta create difficulties to predict soil conditions between test locations. Combined electrical resistivity and seismic shear wave studies, calibrated to geotechnical data, may provide an efficient methodology to predict soil types between geotechnical sites at shallow depths (0- 10 m). The London Avenue Canal levee flank of New Orleans, which failed in the aftermath of Hurricane Katrina, 2005, presents a suitable site in which to pioneer these geophysical relationships. Preliminary cross-plots show electrically resistive, high-shear-wave velocity areas interpreted as low-permeability, resistive silt. In brackish coastal environments, low-resistivity and low-shear-wave-velocity areas may indicate both saturated, unconsolidated sands and low-rigidity clays. Via a polynomial approximation, soil sub-types of sand, silt and clay can be estimated by a cross-plot of S-wave velocity and resistivity. We confirm that existent boring log data fit reasonably well with the polynomial approximation where 2/3 of soil samples fall within their respective bounds—this approach represents a new classification system that could be used for other mid-latitude, fine-grained deltas.

Seismic Wave Propagation

NASA Astrophysics Data System (ADS)

Wu, Xianyun; Wu, Ru-Shan

A seismic wave is a mechanical disturbance or energy packet that can propagate from point to point in the Earth. Seismic waves can be generated by a sudden release of energy such as an earthquake, volcanic eruption, or chemical explosion. There are several types of seismic waves, often classified as body waves, which propagate through the volume of the Earth, and surface waves, which travel along the surface of the Earth. Compressional and shear waves are the two main types of body wave and Rayleigh and Love waves are the most common forms of surface wave.

Joint inversion of surface wave dispersion and receiver functions for crustal structure in Oklahoma

NASA Astrophysics Data System (ADS)

Guo, Hao

The surge in seismicity in Oklahoma starting in 2008 raises questions about the actual locations of the earthquakes in the upper crust. The key to answering this is an improved crustal model that explains as many observations as possible. Love and Rayleigh wave dispersion, teleseismic P-wave receiver functions and some unique transverse motions observed at distances less than 100 km that are characteristics of rays reverberating in a basin provide data to derive the crustal model. The surface wave dispersion data set consists of over 300,000 Love/Rayleigh phase/group values obtained from ambient noise cross-correlation of BH channels of the 133 Transportable Array (TA) stations of Earthscope to periods as short as 2 seconds. Station coverage is dense enough to perform the tomography on a 25*25 km grid that should be able to image shallow geological structures. In addition, receiver functions were obtained using teleseismic data recorded from 3 US Geological Survey Networks (GS) stations and 6 Oklahoma Seismic Network (OK) stations from 2011 to 2014. The 1-D S-wave velocity models derived by the joint inversion of surface wave dispersion and receiver functions with geological constraints are tested by fitting the independent transverse seismograms. This test also provides constraints on the earthquake depths in relation to the geological structure.

Tight-binding analysis of Si and GaAs ultrathin bodies with subatomic wave-function resolution

NASA Astrophysics Data System (ADS)

Tan, Yaohua P.; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy B.; Klimeck, Gerhard

2015-08-01

Empirical tight-binding (ETB) methods are widely used in atomistic device simulations. Traditional ways of generating the ETB parameters rely on direct fitting to bulk experiments or theoretical electronic bands. However, ETB calculations based on existing parameters lead to unphysical results in ultrasmall structures like the As-terminated GaAs ultrathin bodies (UTBs). In this work, it is shown that more transferable ETB parameters with a short interaction range can be obtained by a process of mapping ab initio bands and wave functions to ETB models. This process enables the calibration of not only the ETB energy bands but also the ETB wave functions with corresponding ab initio calculations. Based on the mapping process, ETB models of Si and GaAs are parameterized with respect to hybrid functional calculations. Highly localized ETB basis functions are obtained. Both the ETB energy bands and wave functions with subatomic resolution of UTBs show good agreement with the corresponding hybrid functional calculations. The ETB methods can then be used to explain realistically extended devices in nonequilibrium that cannot be tackled with ab initio methods.

STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis.

PubMed

Gustafsson, Alexander; Paulsson, Magnus

2017-12-20

We present a method used to intuitively interpret the scanning tunneling microscopy (STM) contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into the vacuum region at a real-space grid, including averaging over the lateral reciprocal space. Optimization by means of the method of Lagrange multipliers is implemented to perform a unitary transformation of the wave functions in the middle of the vacuum region. The method enables (i) reduction of the number of contributing tip-substrate wave function combinations used in the corresponding transmission matrix, and (ii) to bundle up wave functions with similar symmetry in the lateral plane, so that (iii) an intuitive understanding of the STM contrast can be achieved. The theory is applied to a CO dimer adsorbed on a Cu(1 1 1) surface scanned by a single-atom Cu tip, whose STM image is discussed in detail by the outlined method.

STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis

NASA Astrophysics Data System (ADS)

Gustafsson, Alexander; Paulsson, Magnus

2017-12-01

We present a method used to intuitively interpret the scanning tunneling microscopy (STM) contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into the vacuum region at a real-space grid, including averaging over the lateral reciprocal space. Optimization by means of the method of Lagrange multipliers is implemented to perform a unitary transformation of the wave functions in the middle of the vacuum region. The method enables (i) reduction of the number of contributing tip-substrate wave function combinations used in the corresponding transmission matrix, and (ii) to bundle up wave functions with similar symmetry in the lateral plane, so that (iii) an intuitive understanding of the STM contrast can be achieved. The theory is applied to a CO dimer adsorbed on a Cu(1 1 1) surface scanned by a single-atom Cu tip, whose STM image is discussed in detail by the outlined method.

Arguments for fundamental emission by the parametric process L yields T + S in interplanetary type III bursts. [langmuir, electromagnetic, ion acoustic waves (L, T, S)

NASA Technical Reports Server (NTRS)

Cairns, I. H.

1984-01-01

Observations of low frequency ion acoustic-like waves associated with Langmuir waves present during interplanetary Type 3 bursts are used to study plasma emission mechanisms and wave processes involving ion acoustic waves. It is shown that the observed wave frequency characteristics are consistent with the processes L yields T + S (where L = Langmuir waves, T = electromagnetic waves, S = ion acoustic waves) and L yields L' + S proceeding. The usual incoherent (random phase) version of the process L yields T + S cannot explain the observed wave production time scale. The clumpy nature of the observed Langmuir waves is vital to the theory of IP Type 3 bursts. The incoherent process L yields T + S may encounter difficulties explaining the observed Type 3 brightness temperatures when Langmuir wave clumps are incorporated into the theory. The parametric process L yields T + S may be the important emission process for the fundamental radiation of interplanetary Type 3 bursts.

Electronic wave function and binding effects in M-shell ionization of gold by protons

NASA Astrophysics Data System (ADS)

Pajek, M.; Banaś, D.; Jabłoński, Ł.; Mukoyama, T.

2018-02-01

The measured M-X-ray production cross sections for protons, which are used in the particle induced X-ray emission (PIXE) technique, are systematically underestimated for low impact energies by the ECPSSR and ECUSAR theories. These theories, which are based on the plane wave Born approximation (PWBA) and use the screened hydrogenic wave functions, include corrections for the projectile Coulomb deflection and electron relativistic and binding effects. In the present paper, in order to interpret the observed disagreement at low impact energies, the systematic calculations of the M-shell ionization cross sections for gold were performed using the semiclassical (SCA) and the binary encounter (BEA) approximations in order to identify a role of the electronic wave function and electron binding effects. In these calculations the different wave functions, from nonrelativistic hydrogenic to selfconsistent Dirac-Hartree-Fock, were considered and the binding effect was treated within extreme separated- (SA) and united-atoms (UA) limits. The results are discussed in details and the observed discrepancies are attributed to inadequate description of the electron binding effect at the lowest impact energies for which the molecular approach is required.

Deep rock damage in the San Andreas Fault revealed by P- and S-type fault-zone-guided waves

USGS Publications Warehouse

Ellsworth, William L.; Malin, Peter E.

2011-01-01

Damage to fault-zone rocks during fault slip results in the formation of a channel of low seismic-wave velocities. Within such channels guided seismic waves, denoted by Fg, can propagate. Here we show with core samples, well logs and Fg-waves that such a channel is crossed by the SAFOD (San Andreas Fault Observatory at Depth) borehole at a depth of 2.7 km near Parkfield, California, USA. This laterally extensive channel extends downwards to at least half way through the seismogenic crust, more than about 7 km. The channel supports not only the previously recognized Love-type- (FL) and Rayleigh-type- (FR) guided waves, but also a new fault-guided wave, which we name FF. As recorded 2.7 km underground, FF is normally dispersed, ends in an Airy phase, and arrives between the P- and S-waves. Modelling shows that FF travels as a leaky mode within the core of the fault zone. Combined with the drill core samples, well logs and the two other types of guided waves, FF at SAFOD reveals a zone of profound, deep, rock damage. Originating from damage accumulated over the recent history of fault movement, we suggest it is maintained either by fracturing near the slip surface of earthquakes, such as the 1857 Fort Tejon M 7.9, or is an unexplained part of the fault-creep process known to be active at this site.

Analysis of Real Ship Rolling Dynamics under Wave Excitement Force Composed of Sums of Cosine Functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Y. S.; Cai, F.; Xu, W. M.

2011-09-28

The ship motion equation with a cosine wave excitement force describes the slip moments in regular waves. A new kind of wave excitement force model, with the form as sums of cosine functions was proposed to describe ship rolling in irregular waves. Ship rolling time series were obtained by solving the ship motion equation with the fourth-order-Runger-Kutta method. These rolling time series were synthetically analyzed with methods of phase-space track, power spectrum, primary component analysis, and the largest Lyapunove exponent. Simulation results show that ship rolling presents some chaotic characteristic when the wave excitement force was applied by sums ofmore » cosine functions. The result well explains the course of ship rolling's chaotic mechanism and is useful for ship hydrodynamic study.« less

Improving the accurate assessment of a layered shear-wave velocity model using joint inversion of the effective Rayleigh wave and Love wave dispersion curves

NASA Astrophysics Data System (ADS)

Yin, X.; Xia, J.; Xu, H.

2016-12-01

Rayleigh and Love waves are two types of surface waves that travel along a free surface.Based on the assumption of horizontal layered homogenous media, Rayleigh-wave phase velocity can be defined as a function of frequency and four groups of earth parameters: P-wave velocity, SV-wave velocity, density and thickness of each layer. Unlike Rayleigh waves, Love-wave phase velocities of a layered homogenous earth model could be calculated using frequency and three groups of earth properties: SH-wave velocity, density, and thickness of each layer. Because the dispersion of Love waves is independent of P-wave velocities, Love-wave dispersion curves are much simpler than Rayleigh wave. The research of joint inversion methods of Rayleigh and Love dispersion curves is necessary. (1) This dissertation adopts the combinations of theoretical analysis and practical applications. In both lateral homogenous media and radial anisotropic media, joint inversion approaches of Rayleigh and Love waves are proposed to improve the accuracy of S-wave velocities.A 10% random white noise and a 20% random white noise are added to the synthetic dispersion curves to check out anti-noise ability of the proposed joint inversion method.Considering the influences of the anomalous layer, Rayleigh and Love waves are insensitive to those layers beneath the high-velocity layer or low-velocity layer and the high-velocity layer itself. Low sensitivities will give rise to high degree of uncertainties of the inverted S-wave velocities of these layers. Considering that sensitivity peaks of Rayleigh and Love waves separate at different frequency ranges, the theoretical analyses have demonstrated that joint inversion of these two types of waves would probably ameliorate the inverted model.The lack of surface-wave (Rayleigh or Love waves) dispersion data may lead to inaccuracy S-wave velocities through the single inversion of Rayleigh or Love waves, so this dissertation presents the joint inversion method of

Fine structure of transient waves in a random medium: The correlation and spectral density functions

NASA Technical Reports Server (NTRS)

Wenzel, Alan R.

1994-01-01

This is essentially a progress report on a theoretical investigation of the propagation of transient waves in a random medium. The emphasis in this study is on applications to sonic-boom propagation, particularly as regards the effect of atmospheric turbulence on the sonic-boom waveform. The analysis is general, however, and is applicable to other types of waves besides sonic-boom waves. The phenomenon of primary concern in this investigation is the fine structure of the wave. A figure is used to illustrate what is meant by finestructure.

Quantum-shutter approach to tunneling time scales with wave packets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamada, Norifumi; Garcia-Calderon, Gaston; Villavicencio, Jorge

2005-07-15

The quantum-shutter approach to tunneling time scales [G. Garcia-Calderon and A. Rubio, Phys. Rev. A 55, 3361 (1997)], which uses a cutoff plane wave as the initial condition, is extended to consider certain type of wave packet initial conditions. An analytical expression for the time-evolved wave function is derived. The time-domain resonance, the peaked structure of the probability density (as the function of time) at the exit of the barrier, originally found with the cutoff plane wave initial condition, is studied with the wave packet initial conditions. It is found that the time-domain resonance is not very sensitive to themore » width of the packet when the transmission process occurs in the tunneling regime.« less

Circumferential and functional re-entry of in vivo slow-wave activity in the porcine small intestine.

PubMed

Angeli, T R; O'Grady, G; Du, P; Paskaranandavadivel, N; Pullan, A J; Bissett, I P; Cheng, L K

2013-05-01

Slow-waves modulate the pattern of small intestine contractions. However, the large-scale spatial organization of intestinal slow-wave pacesetting remains uncertain because most previous studies have had limited resolution. This study applied high-resolution (HR) mapping to evaluate intestinal pacesetting mechanisms and propagation patterns in vivo. HR serosal mapping was performed in anesthetized pigs using flexible arrays (256 electrodes; 32 × 8; 4 mm spacing), applied along the jejunum. Slow-wave propagation patterns, frequencies, and velocities were calculated. Slow-wave initiation sources were identified and analyzed by animation and isochronal activation mapping. Analysis comprised 32 recordings from nine pigs (mean duration 5.1 ± 3.9 min). Slow-wave propagation was analyzed, and a total of 26 sources of slow-wave initiation were observed and classified as focal pacemakers (31%), sites of functional re-entry (23%) and circumferential re-entry (35%), or indeterminate sources (11%). The mean frequencies of circumferential and functional re-entry were similar (17.0 ± 0.3 vs 17.2 ± 0.4 cycle min(-1) ; P = 0.5), and greater than that of focal pacemakers (12.7 ± 0.8 cycle min(-1) ; P < 0.001). Velocity was anisotropic (12.9 ± 0.7 mm s(-1) circumferential vs 9.0 ± 0.7 mm s(-1) longitudinal; P < 0.05), contributing to the onset and maintenance of re-entry. This study has shown multiple patterns of slow-wave initiation in the jejunum of anesthetized pigs. These results constitute the first description and analysis of circumferential re-entry in the gastrointestinal tract and functional re-entry in the in vivo small intestine. Re-entry can control the direction, pattern, and frequency of slow-wave propagation, and its occurrence and functional significance merit further investigation. © 2013 Blackwell Publishing Ltd.

Data processing in Software-type Wave-Particle Interaction Analyzer onboard the Arase satellite

NASA Astrophysics Data System (ADS)

Hikishima, Mitsuru; Kojima, Hirotsugu; Katoh, Yuto; Kasahara, Yoshiya; Kasahara, Satoshi; Mitani, Takefumi; Higashio, Nana; Matsuoka, Ayako; Miyoshi, Yoshizumi; Asamura, Kazushi; Takashima, Takeshi; Yokota, Shoichiro; Kitahara, Masahiro; Matsuda, Shoya

2018-05-01

The software-type wave-particle interaction analyzer (S-WPIA) is an instrument package onboard the Arase satellite, which studies the magnetosphere. The S-WPIA represents a new method for directly observing wave-particle interactions onboard a spacecraft in a space plasma environment. The main objective of the S-WPIA is to quantitatively detect wave-particle interactions associated with whistler-mode chorus emissions and electrons over a wide energy range (from several keV to several MeV). The quantity of energy exchanges between waves and particles can be represented as the inner product of the wave electric-field vector and the particle velocity vector. The S-WPIA requires accurate measurement of the phase difference between wave and particle gyration. The leading edge of the S-WPIA system allows us to collect comprehensive information, including the detection time, energy, and incoming direction of individual particles and instantaneous-wave electric and magnetic fields, at a high sampling rate. All the collected particle and waveform data are stored in the onboard large-volume data storage. The S-WPIA executes calculations asynchronously using the collected electric and magnetic wave data, data acquired from multiple particle instruments, and ambient magnetic-field data. The S-WPIA has the role of handling large amounts of raw data that are dedicated to calculations of the S-WPIA. Then, the results are transferred to the ground station. This paper describes the design of the S-WPIA and its calculations in detail, as implemented onboard Arase.[Figure not available: see fulltext.

Planetary plasma waves

NASA Technical Reports Server (NTRS)

Gurnett, Donald A.

1993-01-01

The primary types of plasma waves observed in the vicinity of the planets Venus, Mars, Earth, Jupiter, Saturn, Uranus, and Neptune are described. The observations are organized according to the various types of plasma waves observed, ordered according to decreasing distance from the planet, starting from the sunward side of the planet, and ending in the region near the closest approach. The plasma waves observed include: electron plasma oscillations and ion acoustic waves; trapped continuum radiation; electron cyclotron and upper hybrid waves; whistler-mode emissions; electrostatic ion cyclotron waves; and electromagnetic ion cyclotron waves.

Development and performance evaluation of an electromagnetic-type shock wave generator for lipolysis.

PubMed

Liang, S M; Chang, M H; Yang, Z Y

2014-01-01

This study aims at the design and development of electromagnetic-type intermittent shock wave generation in a liquid. The shock wave generated is focused at a focal point through an acoustic lens. This hardware device mainly consists of a full-wave bridge rectifier, 6 capacitors, a spark gap, and a flat coil. A metal disk is mounted in a liquid-filled tube and is placed in close proximity to the flat coil. Due to the repulsive force existing between the coil and disk shock waves are generated, while an eddy current is induced in the metal disk. Some components and materials associated with the device are also described. By increasing the capacitance content to enhance electric energy level, a highly focused pressure can be achieved at the focal point through an acoustic lens in order to lyse fat tissue. Focused pressures were measured at the focal point and its vicinity for different operation voltages. The designed shock wave generator with an energy intensity of 0.0016 mJ/mm(2) (at 4 kV) and 2000 firings or higher energy intensities with 1000 firings is found to be able to disrupt pig fat tissue.

Imaging electron wave functions inside open quantum rings.

PubMed

Martins, F; Hackens, B; Pala, M G; Ouisse, T; Sellier, H; Wallart, X; Bollaert, S; Cappy, A; Chevrier, J; Bayot, V; Huant, S

2007-09-28

Combining scanning gate microscopy (SGM) experiments and simulations, we demonstrate low temperature imaging of the electron probability density |Psi|(2)(x,y) in embedded mesoscopic quantum rings. The tip-induced conductance modulations share the same temperature dependence as the Aharonov-Bohm effect, indicating that they originate from electron wave function interferences. Simulations of both |Psi|(2)(x,y) and SGM conductance maps reproduce the main experimental observations and link fringes in SGM images to |Psi|(2)(x,y).

ON THE BRIGHTNESS AND WAITING-TIME DISTRIBUTIONS OF A TYPE III RADIO STORM OBSERVED BY STEREO/WAVES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eastwood, J. P.; Hudson, H. S.; Krucker, S.

2010-01-10

Type III solar radio storms, observed at frequencies below {approx}16 MHz by space-borne radio experiments, correspond to the quasi-continuous, bursty emission of electron beams onto open field lines above active regions. The mechanisms by which a storm can persist in some cases for more than a solar rotation whilst exhibiting considerable radio activity are poorly understood. To address this issue, the statistical properties of a type III storm observed by the STEREO/WAVES radio experiment are presented, examining both the brightness distribution and (for the first time) the waiting-time distribution (WTD). Single power-law behavior is observed in the number distribution asmore » a function of brightness; the power-law index is {approx}2.1 and is largely independent of frequency. The WTD is found to be consistent with a piecewise-constant Poisson process. This indicates that during the storm individual type III bursts occur independently and suggests that the storm dynamics are consistent with avalanche-type behavior in the underlying active region.« less

Evolution of ground-state wave function in CeCoIn5 upon Cd or Sn doping

NASA Astrophysics Data System (ADS)

Chen, K.; Strigari, F.; Sundermann, M.; Hu, Z.; Fisk, Z.; Bauer, E. D.; Rosa, P. F. S.; Sarrao, J. L.; Thompson, J. D.; Herrero-Martin, J.; Pellegrin, E.; Betto, D.; Kummer, K.; Tanaka, A.; Wirth, S.; Severing, A.

2018-01-01

We present linear polarization-dependent soft-x-ray absorption spectroscopy data at the Ce M4 ,5 edges of Cd- and Sn-doped CeCoIn5. The 4 f ground-state wave functions have been determined for their superconducting, antiferromagnetic, and paramagnetic ground states. The absence of changes in the wave functions in CeCo (In1-xCdx) 5 suggests that the 4 f -conduction-electron (c f ) hybridization is not affected by global Cd doping, thus supporting the interpretation of magnetic droplets nucleating long-range magnetic order. This is contrasted by changes in the wave function due to Sn substitution. Increasing Sn in CeCo (In1-ySny) 5 compresses the 4 f orbitals into the tetragonal plane of these materials, suggesting enhanced c f hybridization with the in-plane In(1) atoms and a homogeneous altering of the electronic structure. As these experiments show, the 4 f wave functions are a very sensitive probe of small changes in the hybridization of 4 f and conduction electrons, even conveying information about direction dependencies.

Black hole mass function from gravitational wave measurements

NASA Astrophysics Data System (ADS)

Kovetz, Ely D.; Cholis, Ilias; Breysse, Patrick C.; Kamionkowski, Marc

2017-05-01

We examine how future gravitational-wave measurements from merging black holes (BHs) can be used to infer the shape of the black-hole mass function, with important implications for the study of star formation and evolution and the properties of binary BHs. We model the mass function as a power law, inherited from the stellar initial mass function, and introduce lower and upper mass cutoff parametrizations in order to probe the minimum and maximum BH masses allowed by stellar evolution, respectively. We initially focus on the heavier BH in each binary, to minimize model dependence. Taking into account the experimental noise, the mass measurement errors and the uncertainty in the redshift dependence of the merger rate, we show that the mass function parameters, as well as the total rate of merger events, can be measured to <10 % accuracy within a few years of advanced LIGO observations at its design sensitivity. This can be used to address important open questions such as the upper limit on the stellar mass which allows for BH formation and to confirm or refute the currently observed mass gap between neutron stars and BHs. In order to glean information on the progenitors of the merging BH binaries, we then advocate the study of the two-dimensional mass distribution to constrain parameters that describe the two-body system, such as the mass ratio between the two BHs, in addition to the merger rate and mass function parameters. We argue that several years of data collection can efficiently probe models of binary formation, and show, as an example, that the hypothesis that some gravitational-wave events may involve primordial black holes can be tested. Finally, we point out that in order to maximize the constraining power of the data, it may be worthwhile to lower the signal-to-noise threshold imposed on each candidate event and amass a larger statistical ensemble of BH mergers.

Multi-spectral Metasurface for Different Functional Control of Reflection Waves.

PubMed

Huang, Cheng; Pan, Wenbo; Ma, Xiaoliang; Luo, Xiangang

2016-03-22

Metasurface have recently generated much interest due to its strong manipulation of electromagnetic wave and its easy fabrication compared to bulky metamaterial. Here, we propose the design of a multi-spectral metasurface that can achieve beam deflection and broadband diffusion simultaneously at two different frequency bands. The metasurface is composed of two-layered metallic patterns backed by a metallic ground plane. The top-layer metasurface utilizes the cross-line structures with two different dimensions for producing 0 and π reflection phase response, while the bottom-layer metasurface is realized by a topological morphing of the I-shaped patterns for creating the gradient phase distribution. The whole metasurface is demonstrated to independently control the reflected waves to realize different functions at two bands when illuminated by a normal linear-polarized wave. Both simulation and experimental results show that the beam deflection is achieved at K-band with broadband diffusion at X-Ku band.

Multi-spectral Metasurface for Different Functional Control of Reflection Waves

PubMed Central

Huang, Cheng; Pan, Wenbo; Ma, Xiaoliang; Luo, Xiangang

2016-01-01

Metasurface have recently generated much interest due to its strong manipulation of electromagnetic wave and its easy fabrication compared to bulky metamaterial. Here, we propose the design of a multi-spectral metasurface that can achieve beam deflection and broadband diffusion simultaneously at two different frequency bands. The metasurface is composed of two-layered metallic patterns backed by a metallic ground plane. The top-layer metasurface utilizes the cross-line structures with two different dimensions for producing 0 and π reflection phase response, while the bottom-layer metasurface is realized by a topological morphing of the I-shaped patterns for creating the gradient phase distribution. The whole metasurface is demonstrated to independently control the reflected waves to realize different functions at two bands when illuminated by a normal linear-polarized wave. Both simulation and experimental results show that the beam deflection is achieved at K-band with broadband diffusion at X-Ku band. PMID:27001206

Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo

DOE PAGES

Kent, Paul R.; Krogel, Jaron T.

2017-06-22

Growth in computational resources has lead to the application of real space diffusion quantum Monte Carlo to increasingly heavy elements. Although generally assumed to be small, we find that when using standard techniques, the pseudopotential localization error can be large, on the order of an electron volt for an isolated cerium atom. We formally show that the localization error can be reduced to zero with improvements to the Jastrow factor alone, and we define a metric of Jastrow sensitivity that may be useful in the design of pseudopotentials. We employ an extrapolation scheme to extract the bare fixed node energymore » and estimate the localization error in both the locality approximation and the T-moves schemes for the Ce atom in charge states 3+/4+. The locality approximation exhibits the lowest Jastrow sensitivity and generally smaller localization errors than T-moves although the locality approximation energy approaches the localization free limit from above/below for the 3+/4+ charge state. We find that energy minimized Jastrow factors including three-body electron-electron-ion terms are the most effective at reducing the localization error for both the locality approximation and T-moves for the case of the Ce atom. Less complex or variance minimized Jastrows are generally less effective. Finally, our results suggest that further improvements to Jastrow factors and trial wavefunction forms may be needed to reduce localization errors to chemical accuracy when medium core pseudopotentials are applied to heavy elements such as Ce.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kent, Paul R.; Krogel, Jaron T.

Growth in computational resources has lead to the application of real space diffusion quantum Monte Carlo to increasingly heavy elements. Although generally assumed to be small, we find that when using standard techniques, the pseudopotential localization error can be large, on the order of an electron volt for an isolated cerium atom. We formally show that the localization error can be reduced to zero with improvements to the Jastrow factor alone, and we define a metric of Jastrow sensitivity that may be useful in the design of pseudopotentials. We employ an extrapolation scheme to extract the bare fixed node energymore » and estimate the localization error in both the locality approximation and the T-moves schemes for the Ce atom in charge states 3+/4+. The locality approximation exhibits the lowest Jastrow sensitivity and generally smaller localization errors than T-moves although the locality approximation energy approaches the localization free limit from above/below for the 3+/4+ charge state. We find that energy minimized Jastrow factors including three-body electron-electron-ion terms are the most effective at reducing the localization error for both the locality approximation and T-moves for the case of the Ce atom. Less complex or variance minimized Jastrows are generally less effective. Finally, our results suggest that further improvements to Jastrow factors and trial wavefunction forms may be needed to reduce localization errors to chemical accuracy when medium core pseudopotentials are applied to heavy elements such as Ce.« less

Orbital dependent functionals: An atom projector augmented wave method implementation

NASA Astrophysics Data System (ADS)

Xu, Xiao

This thesis explores the formulation and numerical implementation of orbital dependent exchange-correlation functionals within electronic structure calculations. These orbital-dependent exchange-correlation functionals have recently received renewed attention as a means to improve the physical representation of electron interactions within electronic structure calculations. In particular, electron self-interaction terms can be avoided. In this thesis, an orbital-dependent functional is considered in the context of Hartree-Fock (HF) theory as well as the Optimized Effective Potential (OEP) method and the approximate OEP method developed by Krieger, Li, and Iafrate, known as the KLI approximation. In this thesis, the Fock exchange term is used as a simple well-defined example of an orbital-dependent functional. The Projected Augmented Wave (PAW) method developed by P. E. Blochl has proven to be accurate and efficient for electronic structure calculations for local and semi-local functions because of its accurate evaluation of interaction integrals by controlling multiple moments. We have extended the PAW method to treat orbital-dependent functionals in Hartree-Fock theory and the Optimized Effective Potential method, particularly in the KLI approximation. In the course of study we develop a frozen-core orbital approximation that accurately treats the core electron contributions for above three methods. The main part of the thesis focuses on the treatment of spherical atoms. We have investigated the behavior of PAW-Hartree Fock and PAW-KLI basis, projector, and pseudopotential functions for several elements throughout the periodic table. We have also extended the formalism to the treatment of solids in a plane wave basis and implemented PWPAW-KLI code, which will appear in future publications.

Wave theory of turbulence in compressible media (acoustic theory of turbulence)

NASA Technical Reports Server (NTRS)

Kentzer, C. P.

1975-01-01

The generation and the transmission of sound in turbulent flows are treated as one of the several aspects of wave propagation in turbulence. Fluid fluctuations are decomposed into orthogonal Fourier components, with five interacting modes of wave propagation: two vorticity modes, one entropy mode, and two acoustic modes. Wave interactions, governed by the inhomogeneous and nonlinear terms of the perturbed Navier-Stokes equations, are modeled by random functions which give the rates of change of wave amplitudes equal to the averaged interaction terms. The statistical framework adopted is a quantum-like formulation in terms of complex distribution functions. The spatial probability distributions are given by the squares of the absolute values of the complex characteristic functions. This formulation results in nonlinear diffusion-type transport equations for the probability densities of the five modes of wave propagation.

Energy spectra and wave function of trigonometric Rosen-Morse potential as an effective quantum chromodynamics potential in D-dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deta, U. A., E-mail: utamaalan@yahoo.co.id; Suparmi,; Cari,

2014-09-30

The Energy Spectra and Wave Function of Schrodinger equation in D-Dimensions for trigonometric Rosen-Morse potential were investigated analytically using Nikiforov-Uvarov method. This potential captures the essential traits of the quark-gluon dynamics of Quantum Chromodynamics. The approximate energy spectra are given in the close form and the corresponding approximate wave function for arbitrary l-state (l ≠ 0) in D-dimensions are formulated in the form of differential polynomials. The wave function of this potential unnormalizable for general case. The wave function of this potential unnormalizable for general case. The existence of extra dimensions (centrifugal factor) and this potential increase the energy spectramore » of system.« less

Wave Velocity Attenuation and Sediment Retention among Different Vegetation Types in a Pacific Northwest Estuary

NASA Astrophysics Data System (ADS)

Lemein, T.; Cox, D. T.; Albert, D.; Blackmar, P.

2012-12-01

Feedbacks between vegetation, wave climate, and sedimentation create stable ecosystem states within estuaries that provide ecosystem services such as wildlife habitat, erosion control, and pollution filtration. Flume and field studies conducted with cordgrass (Spartina spp.) and sea grasses (Zostera spp., Halodule spp.) have demonstrated that the presence of vegetation reduces wave energy and increases sediment retention. Since the spatial distribution of plant species and the presence of unique plant species differ between estuaries, there is a need to understand how individual plant species, or groups of species with similar morphology, influence wave characteristics and sedimentation. Within Tillamook Bay, Oregon, three species of emergent vascular vegetation species (Carex lyngbyei, Eleocharis sp., Schoenoplectus pungens) and one species of submergent vascular vegetation species (Zostera marina) are present in the high wave energy portion of the estuary at the border of open water and the start of vegetation. These species represent three distinct growth forms (emergent reeds, emergent grasses, submergent grasses) and occur at varying densities relative to each other, as well as within the estuary. Using paired acoustic Doppler velocimeters (ADVs), we quantify the relative attenuation of wave velocity between vegetation types and densities within the estuary and compare these results with published attenuation rates from flume and field studies in different environments. The effect of decreased wave velocity on sediment retention is measured using permanent sediment markers within and outside of vegetation stands and paired with ADV data. Sediment retention is predicted to vary seasonally with seasonal vegetation composition changes and remain constant in unvegetated areas. From this experiment we expect to identify like groups of plant species whose attenuation characteristics are the same, allowing for models of wave-vegetation-sediment interaction to be

Linear and nonlinear properties of the ULF waves driven by ring-beam distribution functions

NASA Technical Reports Server (NTRS)

Killen, K.; Omidi, N.; Krauss-Varban, D.; Karimabadi, H.

1995-01-01

The problem of the exitation of obliquely propagating magnetosonic waves which can steepen up (also known as shocklets) is considered. Shocklets have been observed upstream of the Earth's bow shock and at comets Giacobini-Zinner and Grigg-Skjellerup. Linear theory as well as two-dimensional (2-D) hybrid (fluid electrons, particle ions) simulations are used to determine the properties of waves generated by ring-beam velocity distributions in great detail. The effects of both proton and oxygen ring-beams are considered. The study of instabilities excited by a proton ring-beam is relevant to the region upstream of the Earth's bow shock, whereas the oxygen ring-beam corresponds to cometary ions picked up by the solar wind. Linear theory has shown that for a ring-beam, four instabilities are found, one on the nonresonant mode, one on the Alfven mode, and two along the magnetosonic/whistler branch. The relative growth rate of these instabilities is a sensitive function of parameters. Although one of the magnetosonic instabilities has maximum growth along the magnetic field, the other has maximum growth in oblique directions. We have studied the competition of these instabilities in the nonlinear regime using 2-D simulations. As in the linear limit, the nonlinear results are a function of beam density and distribution function. By performing the simulations as both initial value and driven systems, we have found that the outcome of the simulations can vary, suggesting that the latter type simulations is needed to address the observations. A general conclusion of the simulation results is that field-aligned beams do not result in the formation of shocklets, whereas ring-beam distributions can.

Publisher Correction: Imaging the square of the correlated two-electron wave function of a hydrogen molecule.

PubMed

Waitz, M; Bello, R Y; Metz, D; Lower, J; Trinter, F; Schober, C; Keiling, M; Lenz, U; Pitzer, M; Mertens, K; Martins, M; Viefhaus, J; Klumpp, S; Weber, T; Schmidt, L Ph H; Williams, J B; Schöffler, M S; Serov, V V; Kheifets, A S; Argenti, L; Palacios, A; Martín, F; Jahnke, T; Dörner, R

2018-06-05

The original version of this Article contained an error in the fifth sentence of the first paragraph of the 'Application on H 2 ' section of the Results, which incorrectly read 'The role of electron correlation is quite apparent in this presentation: Fig. 1a is empty for the uncorrelated Hartree-Fock wave function, since projection of the latter wave function onto the 2pσ u orbital is exactly zero, while this is not the case for the fully correlated wave function (Fig. 1d); also, Fig. 1b, c for the uncorrelated description are identical, while Fig. 1e, f for the correlated case are significantly different.' The correct version replaces 'Fig. 1e, f' with 'Fig. 2e and f'.

A wave function for stock market returns

NASA Astrophysics Data System (ADS)

Ataullah, Ali; Davidson, Ian; Tippett, Mark

2009-02-01

The instantaneous return on the Financial Times-Stock Exchange (FTSE) All Share Index is viewed as a frictionless particle moving in a one-dimensional square well but where there is a non-trivial probability of the particle tunneling into the well’s retaining walls. Our analysis demonstrates how the complementarity principle from quantum mechanics applies to stock market prices and of how the wave function presented by it leads to a probability density which exhibits strong compatibility with returns earned on the FTSE All Share Index. In particular, our analysis shows that the probability density for stock market returns is highly leptokurtic with slight (though not significant) negative skewness. Moreover, the moments of the probability density determined under the complementarity principle employed here are all convergent - in contrast to many of the probability density functions on which the received theory of finance is based.

Stress Wave Source Characterization: Impact, Fracture, and Sliding Friction

NASA Astrophysics Data System (ADS)

McLaskey, Gregory Christofer

and the two mechanical calibration sources, four types of piezoelectric sensors were calibrated: three commercially available sensors and the Glaser-type conical piezoelectric sensor, which was developed in the Glaser laboratory. The distorting effects of each sensor are modeled using autoregressive-moving average (ARMA) models, and because vital phase information is robustly incorporated into these models, they are useful for simulating or removing sensor-induced distortions, so that a displacement time history can be retrieved from recorded signals. The Glaser-type sensor was found to be very well modeled as a unidirectional displacement sensor which detects stress wave disturbances down to about 1 picometer in amplitude. Finally, the merits of a fully calibrated experimental system are demonstrated in a study of stress wave sources arising from sliding friction, and the relationship between those sources and earthquakes. A laboratory friction apparatus was built for this work which allows the micro-mechanisms of friction to be studied with stress wave analysis. Using an array of 14 Glaser-type sensors, and precise models of wave propagation effects and the sensor distortions, the physical origins of the stress wave sources are explored. Force-time functions and focal mechanisms are determined for discrete events found amid the "noise" of friction. These localized events are interpreted to be the rupture of micrometer-sized contacts, known as asperities. By comparing stress wave sources from stick-slip experiments on plastic/plastic and rock/rock interfaces, systematic differences were found. The rock interface produces very rapid (<1 microsecond) implosive forces indicative of brittle asperity failure and fault gouge formation, while rupture on the plastic interface releases only shear force and produces a source more similar to earthquakes commonly recorded in the field. The difference between the mechanisms is attributed to the vast differences in the hardness

Exact exchange plane-wave-pseudopotential calculations for slabs: Extending the width of the vacuum

NASA Astrophysics Data System (ADS)

Engel, Eberhard

2018-04-01

Standard plane-wave pseudopotential (PWPP) calculations for slabs such as graphene become extremely demanding, as soon as the exact exchange (EXX) of density functional theory is applied. Even if the Krieger-Li-Iafrate (KLI) approximation for the EXX potential is utilized, such EXX-PWPP calculations suffer from the fact that an accurate representation of the occupied states throughout the complete vacuum between the replicas of the slab is required. In this contribution, a robust and efficient extension scheme for the PWPP states is introduced, which ensures the correct exponential decay of the slab states in the vacuum for standard cutoff energies and therefore facilitates EXX-PWPP calculations for very wide vacua and rather thick slabs. Using this scheme, it is explicitly verified that the Slater component of the EXX/KLI potential decays as -1 /z over an extended region sufficiently far from the surface (assumed to be perpendicular to the z direction) and from the middle of the vacuum, thus reproducing the asymptotic behavior of the exact EXX potential of a single slab. The calculations also reveal that the orbital-shift component of the EXX/KLI potential is quite sizable in the asymptotic region. In spite of the long-range exchange potential, the replicas of the slab decouple rather quickly with increasing width of the vacuum. Relying on the identity of the work function with the Fermi energy obtained with a suitably normalized total potential, the present EXX/KLI calculations predict work functions for both graphene and the Si(111) surface which are substantially larger than the corresponding experimental data. Together with the size of the orbital-shift potential in the asymptotic region, the very large EXX/KLI work functions indicate a failure of the KLI approximation for nonmetallic slabs.

Love waves in functionally graded piezoelectric materials by stiffness matrix method.

PubMed

Ben Salah, Issam; Wali, Yassine; Ben Ghozlen, Mohamed Hédi

2011-04-01

A numerical matrix method relative to the propagation of ultrasonic guided waves in functionally graded piezoelectric heterostructure is given in order to make a comparative study with the respective performances of analytical methods proposed in literature. The preliminary obtained results show a good agreement, however numerical approach has the advantage of conceptual simplicity and flexibility brought about by the stiffness matrix method. The propagation behaviour of Love waves in a functionally graded piezoelectric material (FGPM) is investigated in this article. It involves a thin FGPM layer bonded perfectly to an elastic substrate. The inhomogeneous FGPM heterostructure has been stratified along the depth direction, hence each state can be considered as homogeneous and the ordinary differential equation method is applied. The obtained solutions are used to study the effect of an exponential gradient applied to physical properties. Such numerical approach allows applying different gradient variation for mechanical and electrical properties. For this case, the obtained results reveal opposite effects. The dispersive curves and phase velocities of the Love wave propagation in the layered piezoelectric film are obtained for electrical open and short cases on the free surface, respectively. The effect of gradient coefficients on coupled electromechanical factor, on the stress fields, the electrical potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the well known heterostructure PZT-5H/SiO(2), the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Love wave propagation behaviour. Copyright © 2010 Elsevier B.V. All rights reserved.

[Factorial division of the visual N1 wave and functional significance].

PubMed

Munoz-Ruata, J; Caro-Martinez, E

2011-05-16

It has been argued if the frontal, N1a, is the early part of the occipito-temporal, N1b, or there are two different waves. It is also not clear whether the N1 of distractor is equivalent to the target N1, neither to distinguish these four waves has some functional value. We performed a principal component analysis of latencies and amplitudes of N1 derived from an oddball visual paradigm in a sample of 82 persons with intellectual disability, and factor scores were correlated with measures of intellectual performance on the Wechsler Intelligence Scale for Children-Fourth Edition. There is not significant dependency between N1a and N1b waves. The N1 from the target stimulus is functionally different to the N1 from the distractor. The N1a 'target' is related to the perceptual reasoning while the N1a 'distractor' is related to the working memory. The correlation between latencies and amplitudes of the target stimuli in posterior locations suggests that, similar to as observed in auditory areas, there is a visual synchronization with the prefrontal cortex; its dysfunction may explain some of the perceptual problems of people with intellectual disabilities.

Inulin-type fructans: functional food ingredients.

PubMed

Roberfroid, Marcel B

2007-11-01

A food (ingredient) is regarded as functional if it is satisfactorily demonstrated to affect beneficially 1 or more target functions in the body beyond adequate nutritional effects. The term inulin-type fructans covers all beta(2<--1) linear fructans including native inulin (DP 2-60, DP(av) = 12), oligofructose (DP 2-8, DP(av) = 4), and inulin HP (DP 10-60, DP(av) = 25) as well as Synergy 1, a specific combination of oligofructose and inulin HP. Inulin-type fructans resist digestion and function as dietary fiber improving bowel habits. But, unlike most dietary fibers, their colonic fermentation is selective, thus causing significant changes in the composition of the gut microflora with increased and reduced numbers of potentially health-promoting bacteria and potentially harmful species, respectively. Both oligofructose and inulin act in this way and thus are prebiotic: they also induce changes in the colonic epithelium and in miscellaneous colonic functions. In particular, the claim "inulin-type fructans enhance calcium and magnesium absorption" is scientifically substantiated, and the most active product is oligofructose-enriched inulin (Synergy 1). A series of studies furthermore demonstrate that inulin-type fructans modulate the secretion of gastrointestinal peptides involved in appetite regulation as well as lipid metabolism. Moreover, a large number of animal studies and preliminary human data show that inulin-type fructans reduce the risk of colon carcinogenesis and improve the management of inflammatory bowel diseases. Inulin-type fructans are thus functional food ingredients that are eligible for enhanced function claims, but, as more human data become available, risk reduction claims will become scientifically substantiated.

Hybrid Theory of P-Wave Electron-Hydrogen Elastic Scattering

NASA Technical Reports Server (NTRS)

Bhatia, Anand

2012-01-01

We report on a study of electron-hydrogen scattering, using a combination of a modified method of polarized orbitals and the optical potential formalism. The calculation is restricted to P waves in the elastic region, where the correlation functions are of Hylleraas type. It is found that the phase shifts are not significantly affected by the modification of the target function by a method similar to the method of polarized orbitals and they are close to the phase shifts calculated earlier by Bhatia. This indicates that the correlation function is general enough to include the target distortion (polarization) in the presence of the incident electron. The important fact is that in the present calculation, to obtain similar results only 35-term correlation function is needed in the wave function compared to the 220-term wave function required in the above-mentioned previous calculation. Results for the phase shifts, obtained in the present hybrid formalism, are rigorous lower bounds to the exact phase shifts.

Remote sensing of plant functional types.

PubMed

Ustin, Susan L; Gamon, John A

2010-06-01

Conceptually, plant functional types represent a classification scheme between species and broad vegetation types. Historically, these were based on physiological, structural and/or phenological properties, whereas recently, they have reflected plant responses to resources or environmental conditions. Often, an underlying assumption, based on an economic analogy, is that the functional role of vegetation can be identified by linked sets of morphological and physiological traits constrained by resources, based on the hypothesis of functional convergence. Using these concepts, ecologists have defined a variety of functional traits that are often context dependent, and the diversity of proposed traits demonstrates the lack of agreement on universal categories. Historically, remotely sensed data have been interpreted in ways that parallel these observations, often focused on the categorization of vegetation into discrete types, often dependent on the sampling scale. At the same time, current thinking in both ecology and remote sensing has moved towards viewing vegetation as a continuum rather than as discrete classes. The capabilities of new remote sensing instruments have led us to propose a new concept of optically distinguishable functional types ('optical types') as a unique way to address the scale dependence of this problem. This would ensure more direct relationships between ecological information and remote sensing observations.

Evans functions and bifurcations of nonlinear waves of some nonlinear reaction diffusion equations

NASA Astrophysics Data System (ADS)

Zhang, Linghai

2017-10-01

The main purposes of this paper are to accomplish the existence, stability, instability and bifurcation of the nonlinear waves of the nonlinear system of reaction diffusion equations ut =uxx + α [ βH (u - θ) - u ] - w, wt = ε (u - γw) and to establish the existence, stability, instability and bifurcation of the nonlinear waves of the nonlinear scalar reaction diffusion equation ut =uxx + α [ βH (u - θ) - u ], under different conditions on the model constants. To establish the bifurcation for the system, we will study the existence and instability of a standing pulse solution if 0 < 2 (1 + αγ) θ < αβγ; the existence and stability of two standing wave fronts if 2 (1 + αγ) θ = αβγ and γ2 ε > 1; the existence and instability of two standing wave fronts if 2 (1 + αγ) θ = αβγ and 0 <γ2 ε < 1; the existence and instability of an upside down standing pulse solution if 0 < (1 + αγ) θ < αβγ < 2 (1 + αγ) θ. To establish the bifurcation for the scalar equation, we will study the existence and stability of a traveling wave front as well as the existence and instability of a standing pulse solution if 0 < 2 θ < β; the existence and stability of two standing wave fronts if 2 θ = β; the existence and stability of a traveling wave front as well as the existence and instability of an upside down standing pulse solution if 0 < θ < β < 2 θ. By the way, we will also study the existence and stability of a traveling wave back of the nonlinear scalar reaction diffusion equation ut =uxx + α [ βH (u - θ) - u ] -w0, where w0 = α (β - 2 θ) > 0 is a positive constant, if 0 < 2 θ < β. To achieve the main goals, we will make complete use of the special structures of the model equations and we will construct Evans functions and apply them to study the eigenvalues and eigenfunctions of several eigenvalue problems associated with several linear differential operators. It turns out that a complex number λ0 is an eigenvalue of the linear

Evolution of ground-state wave function in CeCoIn 5 upon Cd or Sn doping

DOE PAGES

Chen, K.; Strigari, F.; Sundermann, M.; ...

2018-01-17

We present linear polarization-dependent soft-x-ray absorption spectroscopy data at the Ce M 4,5 edges of Cd- and Sn-doped CeCoIn 5. The 4f ground-state wave functions have been determined for their superconducting, antiferromagnetic, and paramagnetic ground states. The absence of changes in the wave functions in CeCo (In 1- xCd x) 5 suggests that the 4f-conduction-electron (c f) hybridization is not affected by global Cd doping, thus supporting the interpretation of magnetic droplets nucleating long-range magnetic order. This is contrasted by changes in the wave function due to Sn substitution. Increasing Sn in CeCo (In 1 - ySn y) 5 compressesmore » the 4f orbitals into the tetragonal plane of these materials, suggesting enhanced c f hybridization with the in-plane In(1) atoms and a homogeneous altering of the electronic structure. As these experiments show, the 4 f wave functions are a very sensitive probe of small changes in the hybridization of 4f and conduction electrons, even conveying information about direction dependencies.« less

Evolution of ground-state wave function in CeCoIn 5 upon Cd or Sn doping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, K.; Strigari, F.; Sundermann, M.

We present linear polarization-dependent soft-x-ray absorption spectroscopy data at the Ce M 4,5 edges of Cd- and Sn-doped CeCoIn 5. The 4f ground-state wave functions have been determined for their superconducting, antiferromagnetic, and paramagnetic ground states. The absence of changes in the wave functions in CeCo (In 1- xCd x) 5 suggests that the 4f-conduction-electron (c f) hybridization is not affected by global Cd doping, thus supporting the interpretation of magnetic droplets nucleating long-range magnetic order. This is contrasted by changes in the wave function due to Sn substitution. Increasing Sn in CeCo (In 1 - ySn y) 5 compressesmore » the 4f orbitals into the tetragonal plane of these materials, suggesting enhanced c f hybridization with the in-plane In(1) atoms and a homogeneous altering of the electronic structure. As these experiments show, the 4 f wave functions are a very sensitive probe of small changes in the hybridization of 4f and conduction electrons, even conveying information about direction dependencies.« less

Computer network defense through radial wave functions

NASA Astrophysics Data System (ADS)

Malloy, Ian J.

The purpose of this research is to synthesize basic and fundamental findings in quantum computing, as applied to the attack and defense of conventional computer networks. The concept focuses on uses of radio waves as a shield for, and attack against traditional computers. A logic bomb is analogous to a landmine in a computer network, and if one was to implement it as non-trivial mitigation, it will aid computer network defense. As has been seen in kinetic warfare, the use of landmines has been devastating to geopolitical regions in that they are severely difficult for a civilian to avoid triggering given the unknown position of a landmine. Thus, the importance of understanding a logic bomb is relevant and has corollaries to quantum mechanics as well. The research synthesizes quantum logic phase shifts in certain respects using the Dynamic Data Exchange protocol in software written for this work, as well as a C-NOT gate applied to a virtual quantum circuit environment by implementing a Quantum Fourier Transform. The research focus applies the principles of coherence and entanglement from quantum physics, the concept of expert systems in artificial intelligence, principles of prime number based cryptography with trapdoor functions, and modeling radio wave propagation against an event from unknown parameters. This comes as a program relying on the artificial intelligence concept of an expert system in conjunction with trigger events for a trapdoor function relying on infinite recursion, as well as system mechanics for elliptic curve cryptography along orbital angular momenta. Here trapdoor both denotes the form of cipher, as well as the implied relationship to logic bombs.

Refinements to the method of epicentral location based on surface waves from ambient seismic noise: introducing Love waves

USGS Publications Warehouse

Levshin, Anatoli L.; Barmin, Mikhail P.; Moschetti, Morgan P.; Mendoza, Carlos; Ritzwoller, Michael H.

2012-01-01

The purpose of this study is to develop and test a modification to a previous method of regional seismic event location based on Empirical Green’s Functions (EGFs) produced from ambient seismic noise. Elastic EGFs between pairs of seismic stations are determined by cross-correlating long ambient noise time-series recorded at the two stations. The EGFs principally contain Rayleigh- and Love-wave energy on the vertical and transverse components, respectively, and we utilize these signals between about 5 and 12 s period. The previous method, based exclusively on Rayleigh waves, may yield biased epicentral locations for certain event types with hypocentral depths between 2 and 5 km. Here we present theoretical arguments that show how Love waves can be introduced to reduce or potentially eliminate the bias. We also present applications of Rayleigh- and Love-wave EGFs to locate 10 reference events in the western United States. The separate Rayleigh and Love epicentral locations and the joint locations using a combination of the two waves agree to within 1 km distance, on average, but confidence ellipses are smallest when both types of waves are used.

Failure Waves in Cylindrical Glass Bars

NASA Astrophysics Data System (ADS)

Cazamias, James U.; Bless, Stephan J.; Marder, Michael P.

1997-07-01

Failure waves, a propagating front separating virgin and comminuted material, have been receiving a fair amount of attention the last couple of years. While most scientists have been looking at failure waves in plate impact geometries, we have conducted a series of experiments on Pyrex bars. In this paper, we present two types of photographic data from a series of tests. A streak camera was used to determine velocities of the failure front as a function of impact stress. A polaroid camera and a flash lamp provide detailed pictures of the actual event. Attempts were made to observe failure waves in amorphous quartz and acrylic.

Nonlinear Wave-Particle Interaction: Implications for Newborn Planetary and Backstreaming Proton Velocity Distribution Functions

NASA Astrophysics Data System (ADS)

Romanelli, N.; Mazelle, C.; Meziane, K.

2018-02-01

Seen from the solar wind (SW) reference frame, the presence of newborn planetary protons upstream from the Martian and Venusian bow shocks and SW protons reflected from each of them constitutes two sources of nonthermal proton populations. In both cases, the resulting proton velocity distribution function is highly unstable and capable of giving rise to ultralow frequency quasi-monochromatic electromagnetic plasma waves. When these instabilities take place, the resulting nonlinear waves are convected by the SW and interact with nonthermal protons located downstream from the wave generation region (upstream from the bow shock), playing a predominant role in their dynamics. To improve our understanding of these phenomena, we study the interaction between a charged particle and a large-amplitude monochromatic circularly polarized electromagnetic wave propagating parallel to a background magnetic field, from first principles. We determine the number of fix points in velocity space, their stability, and their dependence on different wave-particle parameters. Particularly, we determine the temporal evolution of a charged particle in the pitch angle-gyrophase velocity plane under nominal conditions expected for backstreaming protons in planetary foreshocks and for newborn planetary protons in the upstream regions of Venus and Mars. In addition, the inclusion of wave ellipticity effects provides an explanation for pitch angle distributions of suprathermal protons observed at the Earth's foreshock, reported in previous studies. These analyses constitute a mean to evaluate if nonthermal proton velocity distribution functions observed at these plasma environments present signatures that can be understood in terms of nonlinear wave-particle processes.

Wave Function and Emergent SU(2) Symmetry in the νT=1 Quantum Hall Bilayer

NASA Astrophysics Data System (ADS)

Lian, Biao; Zhang, Shou-Cheng

2018-02-01

We propose a trial wave function for the quantum Hall bilayer system of total filling factor νT=1 at a layer distance d to magnetic length ℓ ratio d /ℓ=κc 1≈1.1 , where the lowest charged excitation is known to have a level crossing. The wave function has two-particle correlations, which fit well with those in previous numerical studies, and can be viewed as a Bose-Einstein condensate of free excitons formed by composite bosons and anticomposite bosons in different layers. We show the free nature of these excitons indicating an emergent SU(2) symmetry for the composite bosons at d /ℓ=κc 1, which leads to the level crossing in low-lying charged excitations. We further show the overlap between the trial wave function, and the ground state of a small size exact diagonalization is peaked near d /ℓ=κc 1, which supports our theory.

Alfven Simple Waves

NASA Astrophysics Data System (ADS)

Webb, G. M.; Zank, G. P.; Burrows, R.

2009-12-01

Multi-dimensional Alfvén simple waves in magnetohydrodynamics (MHD) are investigated using Boillat's formalism. For simple wave solutions, all physical variables (the gas density, pressure, fluid velocity, entropy, and magnetic field induction in the MHD case) depend on a single phase function ǎrphi which is a function of the space and time variables. The simple wave ansatz requires that the wave normal and the normal speed of the wave front depend only on the phase function ǎrphi. This leads to an implicit equation for the phase function, and a generalisation of the concept of a plane wave. We obtain examples of Alfvén simple waves, based on the right eigenvector solutions for the Alfvén mode. The Alfvén mode solutions have six integrals, namely that the entropy, density, magnetic pressure and the group velocity (the sum of the Alfvén and fluid velocity) are constant throughout the wave. The eigen-equations require that the rate of change of the magnetic induction B with ǎrphi throughout the wave is perpendicular to both the wave normal n and B. Methods to construct simple wave solutions based on specifying either a solution ansatz for n(ǎrphi) or B(ǎrphi) are developed.

Secondary Bifurcation and Change of Type for Three Dimensional Standing Waves in Shallow Water.

DTIC Science & Technology

1986-02-01

field of standing K-P waves. A set of two non-interacting (to first order) solutions of the K-P equation ( Kadomtsev - Petviashvili 1970). The K-P equation ...P equation was first derived by Kadomtsev & Petviashvili (1970) in their study of the stability of solitary waves to transverse perturbations. A...Scientists, Springer-Verlag 6. B.A. Dubrovin (1981), "Theta Functions and Non-linear Equations ", Russian Mat. Surveys, 36, 11-92 7 B.B. Kadomtsev

Computational aspects of the continuum quaternionic wave functions for hydrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morais, J., E-mail: joao.pedro.morais@ua.pt

Over the past few years considerable attention has been given to the role played by the Hydrogen Continuum Wave Functions (HCWFs) in quantum theory. The HCWFs arise via the method of separation of variables for the time-independent Schrödinger equation in spherical coordinates. The HCWFs are composed of products of a radial part involving associated Laguerre polynomials multiplied by exponential factors and an angular part that is the spherical harmonics. In the present paper we introduce the continuum wave functions for hydrogen within quaternionic analysis ((R)QHCWFs), a result which is not available in the existing literature. In particular, the underlying functionsmore » are of three real variables and take on either values in the reduced and full quaternions (identified, respectively, with R{sup 3} and R{sup 4}). We prove that the (R)QHCWFs are orthonormal to one another. The representation of these functions in terms of the HCWFs are explicitly given, from which several recurrence formulae for fast computer implementations can be derived. A summary of fundamental properties and further computation of the hydrogen-like atom transforms of the (R)QHCWFs are also discussed. We address all the above and explore some basic facts of the arising quaternionic function theory. As an application, we provide the reader with plot simulations that demonstrate the effectiveness of our approach. (R)QHCWFs are new in the literature and have some consequences that are now under investigation.« less

Dielectric permeability tensor and linear waves in spin-1/2 quantum kinetics with non-trivial equilibrium spin-distribution functions

NASA Astrophysics Data System (ADS)

Andreev, Pavel A.; Kuz'menkov, L. S.

2017-11-01

A consideration of waves propagating parallel to the external magnetic field is presented. The dielectric permeability tensor is derived from the quantum kinetic equations with non-trivial equilibrium spin-distribution functions in the linear approximation on the amplitude of wave perturbations. It is possible to consider the equilibrium spin-distribution functions with nonzero z-projection proportional to the difference of the Fermi steps of electrons with the chosen spin direction, while x- and y-projections are equal to zero. It is called the trivial equilibrium spin-distribution functions. In the general case, x- and y-projections of the spin-distribution functions are nonzero which is called the non-trivial regime. A corresponding equilibrium solution is found in Andreev [Phys. Plasmas 23, 062103 (2016)]. The contribution of the nontrivial part of the spin-distribution function appears in the dielectric permeability tensor in the additive form. It is explicitly found here. A corresponding modification in the dispersion equation for the transverse waves is derived. The contribution of the nontrivial part of the spin-distribution function in the spectrum of transverse waves is calculated numerically. It is found that the term caused by the nontrivial part of the spin-distribution function can be comparable with the classic terms for the relatively small wave vectors and frequencies above the cyclotron frequency. In a majority of regimes, the extra spin caused term dominates over the spin term found earlier, except the small frequency regime, where their contributions in the whistler spectrum are comparable. A decrease of the left-hand circularly polarized wave frequency, an increase of the high-frequency right-hand circularly polarized wave frequency, and a decrease of frequency changing by an increase of frequency at the growth of the wave vector for the whistler are found. A considerable decrease of the spin wave frequency is found either. It results in an

The non-Gaussian joint probability density function of slope and elevation for a nonlinear gravity wave field. [in ocean surface

NASA Technical Reports Server (NTRS)

Huang, N. E.; Long, S. R.; Bliven, L. F.; Tung, C.-C.

1984-01-01

On the basis of the mapping method developed by Huang et al. (1983), an analytic expression for the non-Gaussian joint probability density function of slope and elevation for nonlinear gravity waves is derived. Various conditional and marginal density functions are also obtained through the joint density function. The analytic results are compared with a series of carefully controlled laboratory observations, and good agreement is noted. Furthermore, the laboratory wind wave field observations indicate that the capillary or capillary-gravity waves may not be the dominant components in determining the total roughness of the wave field. Thus, the analytic results, though derived specifically for the gravity waves, may have more general applications.

On pp wave limit for η deformed superstrings

NASA Astrophysics Data System (ADS)

Roychowdhury, Dibakar

2018-05-01

In this paper, based on the notion of plane wave string/gauge theory duality, we explore the pp wave limit associated with the bosonic sector of η deformed superstrings propagating in ( AdS 5 × S 5) η . Our analysis reveals that in the presence of NS-NS and RR fluxes, the pp wave limit associated to full ABF background satisfies type IIB equations in its standard form. However, the beta functions as well as the string Hamiltonian start receiving non trivial curvature corrections as one starts probing beyond pp wave limit which thereby takes solutions away from the standard type IIB form. Furthermore, using uniform gauge, we also explore the BMN dynamics associated with short strings and compute the corresponding Hamiltonian density. Finally, we explore the Penrose limit associated with the HT background and compute the corresponding stringy spectrum for the bosonic sector.

Semiempirical Dissipation Source Functions for Ocean Waves. Part 1: Definition, Calibration, and Validation

DTIC Science & Technology

2010-09-01

REPORT DATE (DD-MM- YYYY) 02-03-2011 2. REPORT TYPE Journal Article 3 . DATES COVERED (From - To) 4. TITLE AND SUBTITLE Semiempirical Dissipation...Spectral wave modeling has been performed for the "£_ <• , r. , r , r M> l . en • .u u i .• rll ;imi nl .K. •ihr (l’ last...wind output). The nonlinear scattering term Sn\\ repre- sents all processes that lead to an exchange of wave en - ergy between the different spectral

Imaging the mantle tranzition zone beneath the South American platform using P- and S-wave receiver functions

NASA Astrophysics Data System (ADS)

Bianchi, M.; Heit, B.; Yuan, X.; Assumpcao, M.; Kind, R.

2009-04-01

While the Andean cordillera grab most of the seismological attention due to it's active tectonics, the stable platform is of mainly importance in understanding what could be considered the normal, out of anomaly earth and, may help to understand what are the final and long term results from such a dynamic process like subduction and other types of convergent and divergent plate boundaries interaction. During the last 15 year the Brazilian Lithospheric Seismological Project (BLSP) has been operating more than 60 temporary three-component broadband seismological stations, collecting seismological data mainly in the Brazilian part of the platform. The stations are mainly distributed from 35°W to 60°W and from 10°S to 25°S, covering most of the Parana basin, Tocantins fold beld, Ribeira fold belt and the San Francisco craton. Beyond this central region, there are still some stations distributed over the northern Brazilian margin, covering parts of the Amazon craton and the Parnaiba basin. To complement our dataset we use data from the GT/CPUP station (Vila Florinda/PY FDSN/IRIS). The processing steps included event selection, rotation to LQT coordinate system using an automatic algorithm based on diagonalization of the coherence matrix (for P-wave receiver function only) and deconvolution of the Q by L component for P-wave receiver function and L by Q for S-wave receiver function. The profile images were made by stacking the resulted receiver functions by piercing points locations following pre-defined lines crossing the main tectonic units. At each profile we highlighted the desired Ps and Sp conversion phase for each of the discontinuities and its time readings and errors were estimated by bootstrapping the traces during the stacking procedure. For drawing the conclusions we compared the times each other and with theoretical times computed from the IASPEI91 model and models that presented a ± 5% change in the P- and S-wave mantle velocities. The most important

A theoretical analysis of anatomical and functional intestinal slow wave re-entry.

PubMed

Du, Peng; O'Grady, Gregory; Cheng, Leo K

2017-07-21

Intestinal bioelectrical slow waves are a key regulator of intestinal motility. Peripheral pacemakers, ectopic initiations and sustained periods of re-entrant activities have all been experimentally observed to be important factors in setting the frequency of intestinal slow waves, but the tissue-level mechanisms underpinning these activities are unclear. This theoretical analysis aimed to define the initiation, maintenance, and termination criteria of two classes of intestinal re-entrant activities: anatomical re-entry and functional re-entry. Anatomical re-entry was modeled in a three-dimensional (3D) cylindrical model, and functional rotor was modeled in a 2D rectangle model. A single-pulse stimulus was used to invoke an anatomical re-entry and a prolonged refractory block was used to invoke the rotor. In both cases, the simulated re-entrant activities operated at frequencies above the baseline entrainment frequency. The anatomical re-entry simulation results demonstrated that a temporary functional refractory block would be required to initiate the re-entrant activity in a single direction around the cylindrical model. The rotor could be terminated by a single-pulse stimulus delivered around the core of the rotor. In conclusion, the simulation results provide the following new insights into the mechanisms of intestinal re-entry: (i) anatomical re-entry is only maintained within a specific range of velocities, outside of which the re-entrant activities become either an ectopic activity or simultaneous activations of the intestinal wall; (ii) a maintained rotor entrained slow waves faster in the antegrade direction than in the retrograde direction. Simulations are shown to be a valuable tool for achieving novel insights into the mechanisms of intestinal slow wave dysrhythmia. Copyright © 2017 Elsevier Ltd. All rights reserved.

Assessment of ventricular and left atrial mechanical functions, atrial electromechanical delay and P wave dispersion in patients with scleroderma.

PubMed

Aktoz, Meryem; Yilmaztepe, Mustafa; Tatli, Ersan; Turan, Fatma Nesrin; Umit, Elif G; Altun, Armagan

2011-01-01

The aim of this study was to investigate ventricular functions and left atrial (LA) mechanical functions, atrial electromechanical coupling, and P wave dispersion in scleroderma patients. Twenty-six patients with scleroderma and twenty-four controls were included. Left and right ventricular (LV and RV) functions were evaluated using conventional echocardiography and tissue Doppler imaging (TDI). LA volumes were measured using the biplane area- -length method and LA mechanical function parameters were calculated. Inter-intraatrial electromechanical delays were measured by TDI. P wave dispersion was calculated by 12-lead electrocardiograms. LV myocardial performance indices (MPI) and RV MPI were higher in patients with scleroderma (p = 0.000, p = 0.000, respectively) while LA passive emptying fraction was decreased and LA active emptying fraction was increased (p = 0.051, p = 0.000, respectively). P wave dispersion and inter-intraatrial electromechanical delay were significantly higher in patients with scleroderma (25 [10-60] vs 20 [0-30], p = 0.000, 16.50 [7.28-26.38] vs 9.44 [3.79-15.78] and 11.33 [4.88-16.06] vs 4.00 [0-12.90], p < 0.05, respectively). Interatrial electromechanical delay was negatively correlated with LV E wave, (p = 0.018). LV E wave was demonstrated to be a factor independent of the interatrial electromechanical delay (R² = = 0.270, b = -0.52, p = 0.013). This study showed that in scleroderma patients, global functions of LV, RV and mechanical functions of LA were impaired, intra-interatrial electromechanical delays were prolonged and P wave dispersion was higher. LV E wave was demonstrated to be a factor that is independent of the interatrial electromechanical delay. Reduced LV E wave may also give additional information on the process of risk stratification of atrial fibrillation.

Superoscillating electron wave functions with subdiffraction spots

NASA Astrophysics Data System (ADS)

Remez, Roei; Tsur, Yuval; Lu, Peng-Han; Tavabi, Amir H.; Dunin-Borkowski, Rafal E.; Arie, Ady

2017-03-01

Almost one and a half centuries ago, Abbe [Arch. Mikrosk. Anat. 9, 413 (1873), 10.1007/BF02956173] and shortly after Lord Rayleigh [Philos. Mag. Ser. 5 8, 261 (1879), 10.1080/14786447908639684] showed that, when an optical lens is illuminated by a plane wave, a diffraction-limited spot with radius 0.61 λ /sinα is obtained, where λ is the wavelength and α is the semiangle of the beam's convergence cone. However, spots with much smaller features can be obtained at the focal plane when the lens is illuminated by an appropriately structured beam. Whereas this concept is known for light beams, here, we show how to realize it for a massive-particle wave function, namely, a free electron. We experimentally demonstrate an electron central spot of radius 106 pm, which is more than two times smaller than the diffraction limit of the experimental setup used. In addition, we demonstrate that this central spot can be structured by adding orbital angular momentum to it. The resulting superoscillating vortex beam has a smaller dark core with respect to a regular vortex beam. This family of electron beams having hot spots with arbitrarily small features and tailored structures could be useful for studying electron-matter interactions with subatomic resolution.

Vertical field-effect transistor based on wave-function extension

NASA Astrophysics Data System (ADS)

Sciambi, A.; Pelliccione, M.; Lilly, M. P.; Bank, S. R.; Gossard, A. C.; Pfeiffer, L. N.; West, K. W.; Goldhaber-Gordon, D.

2011-08-01

We demonstrate a mechanism for a dual layer, vertical field-effect transistor, in which nearly depleting one layer will extend its wave function to overlap the other layer and increase tunnel current. We characterize this effect in a specially designed GaAs/AlGaAs device, observing a tunnel current increase of two orders of magnitude at cryogenic temperatures, and we suggest extrapolations of the design to other material systems such as graphene.

Wave Functions for Time-Dependent Dirac Equation under GUP

NASA Astrophysics Data System (ADS)

Zhang, Meng-Yao; Long, Chao-Yun; Long, Zheng-Wen

2018-04-01

In this work, the time-dependent Dirac equation is investigated under generalized uncertainty principle (GUP) framework. It is possible to construct the exact solutions of Dirac equation when the time-dependent potentials satisfied the proper conditions. In (1+1) dimensions, the analytical wave functions of the Dirac equation under GUP have been obtained for the two kinds time-dependent potentials. Supported by the National Natural Science Foundation of China under Grant No. 11565009

Theoretical electronic transition moments for the Ballik-Ramsay, Fox-Herzberg, and Swan systems of C2

NASA Technical Reports Server (NTRS)

Cooper, D. M.

1981-01-01

Electronic transition moments and their variation with internuclear separation are calculated for the Ballik-Ramsay (b 3 Sigma g - a 3 Pi u), Fox-Herzberg (e 3 Pi g-a 3 Pi u) and Swan (d 3 Pi g-a 3 Pi u) band systems of C2, which appear in a variety of terrestrial and astrophysical sources. Electronic wave functions of the a 3 Pi u, b 2 Sigma g -, d 3 Pi g and e 3 Pi g states of C2 are obtained by means of a self-consistent field plus configuration interaction calculation using an atomic basis of 46 Slater-type orbitals, and theoretical potential energy curves and spectroscopic constants for the four electronic states were computed. The results obtained for both the potential energy curves and electronic transition moments are found to be in good agreement with experimental data.

Relativistic backward wave oscillator operating in TM02 with cutoff-type resonant reflector

NASA Astrophysics Data System (ADS)

Teng, Yan; Shi, Yanchao; Yang, Dewen; Cao, Yibing; Zhang, Zhijun

2017-04-01

This paper proposes an overmoded relativistic backward wave oscillator (RBWO) operating in the TM02 mode with the cutoff-type resonant reflector characterized by the advantages of the cutoff neck and the single resonant cavity. In order to protect the explosive emission of the annular cathode from the disturbance of the microwave leakage, the cutoff-type resonant reflector can effectively prevent the microwave consisting of several modes from propagating into the diode region. Attributed to the strong reflections caused by the cutoff-type resonant reflector at the front end of the overmoded slow-wave structure (SWS), the overmoded RBWO works in the state of the strong resonance, which enhances the beam-to-microwave power conversion efficiency. TM02 is selected as the operation mode so as to increase the power handling capability. The nonuniform SWS depresses the cross-excitation of the unwanted longitudinal modes of TM02 and improves the synchronous interaction between the electron beam and the structure wave. It is found that when we make the peak values of the longitudinal electric field and the modulated current appear nearly at the same position in the overmoded SWS by optimizing the electrodynamic structure, the conversion efficiency will be enhanced significantly. In the numerical simulation, the microwave generation with power 2.99 GW and efficiency 0.45 is obtained under the diode voltage 851 kV and current 7.8 kA with the guide magnetic field of 4.3 T. The microwave generation with the pure frequency spectrum of 10.083 GHz radiates in the TM01 mode. The conversion efficiency keeps above 0.40 over the diode voltage range of 220 kV.

Computing wave functions in multichannel collisions with non-local potentials using the R-matrix method

NASA Astrophysics Data System (ADS)

Bonitati, Joey; Slimmer, Ben; Li, Weichuan; Potel, Gregory; Nunes, Filomena

2017-09-01

The calculable form of the R-matrix method has been previously shown to be a useful tool in approximately solving the Schrodinger equation in nuclear scattering problems. We use this technique combined with the Gauss quadrature for the Lagrange-mesh method to efficiently solve for the wave functions of projectile nuclei in low energy collisions (1-100 MeV) involving an arbitrary number of channels. We include the local Woods-Saxon potential, the non-local potential of Perey and Buck, a Coulomb potential, and a coupling potential to computationally solve for the wave function of two nuclei at short distances. Object oriented programming is used to increase modularity, and parallel programming techniques are introduced to reduce computation time. We conclude that the R-matrix method is an effective method to predict the wave functions of nuclei in scattering problems involving both multiple channels and non-local potentials. Michigan State University iCER ACRES REU.

Wave Function and Emergent SU(2) Symmetry in the ν_{T}=1 Quantum Hall Bilayer.

PubMed

Lian, Biao; Zhang, Shou-Cheng

2018-02-16

We propose a trial wave function for the quantum Hall bilayer system of total filling factor ν_{T}=1 at a layer distance d to magnetic length ℓ ratio d/ℓ=κ_{c1}≈1.1, where the lowest charged excitation is known to have a level crossing. The wave function has two-particle correlations, which fit well with those in previous numerical studies, and can be viewed as a Bose-Einstein condensate of free excitons formed by composite bosons and anticomposite bosons in different layers. We show the free nature of these excitons indicating an emergent SU(2) symmetry for the composite bosons at d/ℓ=κ_{c1}, which leads to the level crossing in low-lying charged excitations. We further show the overlap between the trial wave function, and the ground state of a small size exact diagonalization is peaked near d/ℓ=κ_{c1}, which supports our theory.

Love-type wave propagation in a pre-stressed viscoelastic medium influenced by smooth moving punch

NASA Astrophysics Data System (ADS)

Singh, A. K.; Parween, Z.; Chatterjee, M.; Chattopadhyay, A.

2015-04-01

In the present paper, a mathematical model studying the effect of smooth moving semi-infinite punch on the propagation of Love-type wave in an initially stressed viscoelastic strip is developed. The dynamic stress concentration due to the punch for the force of a constant intensity has been obtained in the closed form. Method based on Weiner-hopf technique which is indicated by Matczynski has been employed. The study manifests the significant effect of various affecting parameters viz. speed of moving punch associated with Love-type wave speed, horizontal compressive/tensile initial stress, vertical compressive/tensile initial stress, frequency parameter, and viscoelastic parameter on dynamic stress concentration due to semi-infinite punch. Moreover, some important peculiarities have been traced out and depicted by means of graphs.

Observations of a Unique Type of ULF Wave by Low-Altitude Space Technology 5 Satellites

NASA Technical Reports Server (NTRS)

Le, G.; Chi, P. J.; Strangeway, R. J.; Slavin, J. A.

2011-01-01

We report a unique type of ULF waves observed by low-altitude Space Technology 5 (ST-5) constellation mission. ST-5 is a three-microsatellite constellation deployed into a 300 x 4500 km dawn-dusk and Sun-synchronous polar orbit with 105.6deg inclination angle. Because of the Earth's rotation and the dipole tilt effect, the spacecraft's dawn-dusk orbit track can reach as low as subauroral latitudes during the course of a day. Whenever the spacecraft traverse the dayside closed field line region at subauroral latitudes, they frequently observe strong transverse oscillations at 30-200 mHz, or in the Pc2-3 frequency range. These Pc2-3 waves appear as wave packets with durations in the order of 5-10 min. As the maximum separations of the ST-5 spacecraft are in the order of 10 min, the three ST-5 satellites often observe very similar wave packets, implying these wave oscillations occur in a localized region. The coordinated ground-based magnetic observations at the spacecraft footprints, however, do not see waves in the Pc2-3 band; instead, the waves appear to be the common Pc4-5 waves associated with field line resonances. We suggest that these unique Pc2-3 waves seen by ST-5 are in fact the Doppler-shifted Pc4-5 waves as a result of rapid traverse of the spacecraft across the resonant field lines azimuthally at low altitudes. The observations with the unique spacecraft dawn-dusk orbits at proper altitudes and magnetic latitudes reveal the azimuthal characteristics of field line resonances.

Studying Regional Wave Source Time Functions Using the Empirical Green's Function Method: Application to Central Asia

NASA Astrophysics Data System (ADS)

Xie, J.; Schaff, D. P.; Chen, Y.; Schult, F.

2013-12-01

Reliably estimated source time functions (STFs) from high-frequency regional waveforms, such as Lg, Pn and Pg, provide important input for seismic source studies, explosion detection and discrimination, and minimization of parameter trade-off in attenuation studies. We have searched for candidate pairs of larger and small earthquakes in and around China that share the same focal mechanism but significantly differ in magnitudes, so that the empirical Green's function (EGF) method can be applied to study the STFs of the larger events. We conducted about a million deconvolutions using waveforms from 925 earthquakes, and screened the deconvolved traces to exclude those that are from event pairs that involved different mechanisms. Only 2,700 traces passed this screening and could be further analyzed using the EGF method. We have developed a series of codes for speeding up the final EGF analysis by implementing automations and user-graphic interface procedures. The codes have been fully tested with a subset of screened data and we are currently applying them to all the screened data. We will present a large number of deconvolved STFs retrieved using various phases (Lg, Pn, Sn and Pg and coda) with information on any directivities, any possible dependence of pulse durations on the wave types, on scaling relations for the pulse durations and event sizes, and on the estimated source static stress drops.

FLARE-GENERATED SHOCK WAVE PROPAGATION THROUGH SOLAR CORONAL ARCADE LOOPS AND AN ASSOCIATED TYPE II RADIO BURST

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Pankaj; Cho, Kyung-Suk; Innes, D. E., E-mail: pankaj@kasi.re.kr

2016-09-01

This paper presents multiwavelength observations of a flare-generated type II radio burst. The kinematics of the shock derived from the type II burst closely match a fast extreme ultraviolet (EUV) wave seen propagating through coronal arcade loops. The EUV wave was closely associated with an impulsive M1.0 flare without a related coronal mass ejection, and was triggered at one of the footpoints of the arcade loops in active region NOAA 12035. It was initially observed in the 335 Å images from the Atmospheric Image Assembly with a speed of ∼800 km s{sup −1} and it accelerated to ∼1490 km s{supmore » −1} after passing through the arcade loops. A fan–spine magnetic topology was revealed at the flare site. A small, confined filament eruption (∼340 km s{sup −1}) was also observed moving in the opposite direction to the EUV wave. We suggest that breakout reconnection in the fan–spine topology triggered the flare and associated EUV wave that propagated as a fast shock through the arcade loops.« less

A rod type linear ultrasonic motor utilizing longitudinal traveling waves: proof of concept

NASA Astrophysics Data System (ADS)

Wang, Liang; Wielert, Tim; Twiefel, Jens; Jin, Jiamei; Wallaschek, Jörg

2017-08-01

This paper proposes a non-resonant linear ultrasonic motor utilizing longitudinal traveling waves. The longitudinal traveling waves in the rod type stator are generated by inducing longitudinal vibrations at one end of the waveguide and eliminating reflections at the opposite end by a passive damper. Considering the Poisson’s effect, the stator surface points move on elliptic trajectories and the slider is driven forward by friction. In contrast to many other flexural traveling wave linear ultrasonic motors, the driving direction of the proposed motor is identical to the wave propagation direction. The feasibility of the motor concept is demonstrated theoretically and experimentally. First, the design and operation principle of the motor are presented in detail. Then, the stator is modeled utilizing the transfer matrix method and verified by experimental studies. In addition, experimental parameter studies are carried out to identify the motor characteristics. Finally, the performance of the proposed motor is investigated. Overall, the results indicate very dynamic drive characteristics. The motor prototype achieves a maximum mean velocity of 115 mm s-1 and a maximum load of 0.25 N. Thereby, the start-up and shutdown times from the maximum speed are lower than 5 ms.

A model for wave propagation in a porous solid saturated by a three-phase fluid.

PubMed

Santos, Juan E; Savioli, Gabriela B

2016-02-01

This paper presents a model to describe the propagation of waves in a poroelastic medium saturated by a three-phase viscous, compressible fluid. Two capillary relations between the three fluid phases are included in the model by introducing Lagrange multipliers in the principle of virtual complementary work. This approach generalizes that of Biot for single-phase fluids and allows to determine the strain energy density, identify the generalized strains and stresses, and derive the constitutive relations of the system. The kinetic and dissipative energy density functions are obtained assuming that the relative flow within the pore space is of laminar type and obeys Darcy's law for three-phase flow in porous media. After deriving the equations of motion, a plane wave analysis predicts the existence of four compressional waves, denoted as type I, II, III, and IV waves, and one shear wave. Numerical examples showing the behavior of all waves as function of saturation and frequency are presented.

Transient giant negative T wave in acute anterior myocardial infarction predicts R wave recovery and preservation of left ventricular function.

PubMed Central

Agetsuma, H.; Hirai, M.; Hirayama, H.; Suzuki, A.; Takanaka, C.; Yabe, S.; Inagaki, H.; Takatsu, F.; Hayashi, H.; Saito, H.

1996-01-01

OBJECTIVE: To investigate the value of a giant negative T wave (> or = 1.0 mV) in precordial leads of 12-lead electrocardiograms in the acute phase of Q wave myocardial infarction as a predictor of myocardial salvage. METHODS: Coronary angiographic and electrocardiographic findings, left ventricular ejection fraction in the chronic stage, and levels of cardiac enzymes were compared in patients with myocardial infarction with (group GNT, n = 31) and without (group N, n = 20) a giant negative T wave. GNT patients were divided into two subgroups according to the presence (GNT:R[+], n = 10) or absence (GNT: R[-], n = 21) of R wave recovery with an amplitude > or = 0.1 mV in at least one lead that had shown Q waves. RESULTS: The maximum level of creatine kinase and the total creatine kinase were lower in group GNT compared with group N (P < 0.05). The left ventricular ejection fraction was higher in group GNT than in group N (P < 0.05). The maximum creatine kinase and total creatine kinase were lower in GNT:R(+) than in GNT:R(-) (P < 0.01). The left ventricular ejection fraction was higher in GNT:R(+) than in GNT:R(-) (P < 0.01). The frequency of R wave recovery was significantly higher when giant negative T waves appeared within 100 h of myocardial infarction or when the maximum potential was > or = 1.4 mV. The appearance of a giant negative T wave > or = 1.4 mV had a sensitivity of 90%, a specificity of 71.4%, a diagnostic accuracy of 77.4%, a positive predictive value of 60%, and a negative predictive value of 93.8% for prediction of R wave recovery. CONCLUSIONS: The appearance of a giant negative T wave, especially within 100 h of the onset of myocardial infarction, with a maximum potential of > or = 1.4 mV, may predict a reappearance of the R wave and a better left ventricular function in patients in the chronic stage of anterior myocardial infarction. PMID:8800983

Exact travelling wave solutions for a diffusion-convection equation in two and three spatial dimensions

NASA Astrophysics Data System (ADS)

Elwakil, S. A.; El-Labany, S. K.; Zahran, M. A.; Sabry, R.

2004-04-01

The modified extended tanh-function method were applied to the general class of nonlinear diffusion-convection equations where the concentration-dependent diffusivity, D( u), was taken to be a constant while the concentration-dependent hydraulic conductivity, K( u) were taken to be in a power law. The obtained solutions include rational-type, triangular-type, singular-type, and solitary wave solutions. In fact, the profile of the obtained solitary wave solutions resemble the characteristics of a shock-wave like structure for an arbitrary m (where m>1 is the power of the nonlinear convection term).

Soliton-cnoidal interactional wave solutions for the reduced Maxwell-Bloch equations

NASA Astrophysics Data System (ADS)

Huang, Li-Li; Qiao, Zhi-Jun; Chen, Yong

2018-02-01

Based on nonlocal symmetry method, localized excitations and interactional solutions are investigated for the reduced Maxwell-Bloch equations. The nonlocal symmetries of the reduced Maxwell-Bloch equations are obtained by the truncated Painleve expansion approach and the Mobious invariant property. The nonlocal symmetries are localized to a prolonged system by introducing suitable auxiliary dependent variables. The extended system can be closed and a novel Lie point symmetry system is constructed. By solving the initial value problems, a new type of finite symmetry transformations is obtained to derive periodic waves, Ma breathers and breathers travelling on the background of periodic line waves. Then rich exact interactional solutions are derived between solitary waves and other waves including cnoidal waves, rational waves, Painleve waves, and periodic waves through similarity reductions. In particular, several new types of localized excitations including rogue waves are found, which stem from the arbitrary function generated in the process of similarity reduction. By computer numerical simulation, the dynamics of these localized excitations and interactional solutions are discussed, which exhibit meaningful structures.

Actuating mechanism and design of a cylindrical traveling wave ultrasonic motor using cantilever type composite transducer.

PubMed

Liu, Yingxiang; Chen, Weishan; Liu, Junkao; Shi, Shengjun

2010-04-02

Ultrasonic motors (USM) are based on the concept of driving the rotor by a mechanical vibration excited on the stator via piezoelectric effect. USM exhibit merits such as simple structure, quick response, quiet operation, self-locking when power off, nonelectromagnetic radiation and higher position accuracy. A cylindrical type traveling wave ultrasonic motor using cantilever type composite transducer was proposed in this paper. There are two cantilevers on the outside surface of cylinder, four longitudinal PZT ceramics are set between the cantilevers, and four bending PZT ceramics are set on each outside surface of cantilevers. Two degenerate flexural vibration modes spatially and temporally orthogonal to each other in the cylinder are excited by the composite transducer. In this new design, a single transducer can excite a flexural traveling wave in the cylinder. Thus, elliptical motions are achieved on the teeth. The actuating mechanism of proposed motor was analyzed. The stator was designed with FEM. The two vibration modes of stator were degenerated. Transient analysis was developed to gain the vibration characteristic of stator, and results indicate the motion trajectories of nodes on the teeth are nearly ellipses. The study results verify the feasibility of the proposed design. The wave excited in the cylinder isn't an ideal traveling wave, and the vibration amplitudes are inconsistent. The distortion of traveling wave is generated by the deformation of bending vibration mode of cylinder, which is caused by the coupling effect between the cylinder and transducer. Analysis results also prove that the objective motions of nodes on the teeth are three-dimensional vibrations. But, the vibration in axial direction is minute compared with the vibrations in circumferential and radial direction. The results of this paper can guide the development of this new type of motor.

Actuating Mechanism and Design of a Cylindrical Traveling Wave Ultrasonic Motor Using Cantilever Type Composite Transducer

PubMed Central

Liu, Yingxiang; Chen, Weishan; Liu, Junkao; Shi, Shengjun

2010-01-01

Background Ultrasonic motors (USM) are based on the concept of driving the rotor by a mechanical vibration excited on the stator via piezoelectric effect. USM exhibit merits such as simple structure, quick response, quiet operation, self-locking when power off, nonelectromagnetic radiation and higher position accuracy. Principal Findings A cylindrical type traveling wave ultrasonic motor using cantilever type composite transducer was proposed in this paper. There are two cantilevers on the outside surface of cylinder, four longitudinal PZT ceramics are set between the cantilevers, and four bending PZT ceramics are set on each outside surface of cantilevers. Two degenerate flexural vibration modes spatially and temporally orthogonal to each other in the cylinder are excited by the composite transducer. In this new design, a single transducer can excite a flexural traveling wave in the cylinder. Thus, elliptical motions are achieved on the teeth. The actuating mechanism of proposed motor was analyzed. The stator was designed with FEM. The two vibration modes of stator were degenerated. Transient analysis was developed to gain the vibration characteristic of stator, and results indicate the motion trajectories of nodes on the teeth are nearly ellipses. Conclusions The study results verify the feasibility of the proposed design. The wave excited in the cylinder isn't an ideal traveling wave, and the vibration amplitudes are inconsistent. The distortion of traveling wave is generated by the deformation of bending vibration mode of cylinder, which is caused by the coupling effect between the cylinder and transducer. Analysis results also prove that the objective motions of nodes on the teeth are three-dimensional vibrations. But, the vibration in axial direction is minute compared with the vibrations in circumferential and radial direction. The results of this paper can guide the development of this new type of motor. PMID:20368809