Computer Physics Communications, ISSN 0010-4655, 04/2017, Volume 213, pp. 223 - 234

WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or...

Quantum dynamics | Discrete variable representation | Bound states | Numerical propagation | Schrödinger equation | Non-adiabatic transitions | MOLECULAR-DYNAMICS | LASER-PULSES | APPROXIMATION | PHOTOASSOCIATION | MODEL SIMULATIONS | PHYSICS, MATHEMATICAL | BORN-OPPENHEIMER | EIGENVALUES | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | Schrodinger equation | IONIZATION | DEPENDENT SCHRODINGER-EQUATION | PROPAGATION | Electric fields | Quantum theory | Numerical analysis | Physics - Quantum Physics

Quantum dynamics | Discrete variable representation | Bound states | Numerical propagation | Schrödinger equation | Non-adiabatic transitions | MOLECULAR-DYNAMICS | LASER-PULSES | APPROXIMATION | PHOTOASSOCIATION | MODEL SIMULATIONS | PHYSICS, MATHEMATICAL | BORN-OPPENHEIMER | EIGENVALUES | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | Schrodinger equation | IONIZATION | DEPENDENT SCHRODINGER-EQUATION | PROPAGATION | Electric fields | Quantum theory | Numerical analysis | Physics - Quantum Physics

Journal Article

Chinese Journal of Chemical Physics, ISSN 1674-0068, 06/2019, Volume 32, Issue 3, pp. 333 - 342

Within the Born-Oppenheimer (BO) approximation, nuclear motions of a molecule are often envisioned to occur on an adiabatic potential energy surface (PES)....

DEFINITION | TRANSITION-PROBABILITIES | ISOMERIZATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | REACTIVE SCATTERING | Adiabatic and diabatic representaton | H+O-2 SCATTERING | BORN-OPPENHEIMER | Conical intersection | Discrete variable representation | WAVE-PACKET DYNAMICS | PHOTODISSOCIATION DYNAMICS | GEOMETRIC-PHASE | RESONANCES | Geometric phase

DEFINITION | TRANSITION-PROBABILITIES | ISOMERIZATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | REACTIVE SCATTERING | Adiabatic and diabatic representaton | H+O-2 SCATTERING | BORN-OPPENHEIMER | Conical intersection | Discrete variable representation | WAVE-PACKET DYNAMICS | PHOTODISSOCIATION DYNAMICS | GEOMETRIC-PHASE | RESONANCES | Geometric phase

Journal Article

Proceedings of SPIE - The International Society for Optical Engineering, ISSN 0277-786X, 2013, Volume 8919

The objective of this work is to recognize faces under variations in illumination. Previous works have indicated that the variations in illumination can...

Sparse representation | Face recognition | Illumination normalization | Discrete cosine transform | Databases | Classification | Illumination | Representations | Logarithms | Recognition | Image classification

Sparse representation | Face recognition | Illumination normalization | Discrete cosine transform | Databases | Classification | Illumination | Representations | Logarithms | Recognition | Image classification

Conference Proceeding

化学物理学报, ISSN 1674-0068, 2013, Volume 26, Issue 6, pp. 755 - 764

Efficient numerical solver for the SchrSdinger equation is very important in physics and chemistry. The finite element discrete variable representation...

相互作用势 | 数字显示 | 量子力学 | 映射 | 有限元 | 散射问题 | 电子状态 | 离散变量表象 | WAVE-PACKET | GRID REPRESENTATIONS | TIME-DEPENDENT HARTREE | PHOTOASSOCIATION | SCHRODINGER-EQUATION | ENVIRONMENT | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Schrodinger equation solver | LONG-RANGE MOLECULES | QUANTUM DYNAMICS | Mapped Fourier method | Discrete variable representation | Ultra-cold atomic photoassociation | Singularity of Coulomb potential | SPECTRUM | SIMULATIONS

相互作用势 | 数字显示 | 量子力学 | 映射 | 有限元 | 散射问题 | 电子状态 | 离散变量表象 | WAVE-PACKET | GRID REPRESENTATIONS | TIME-DEPENDENT HARTREE | PHOTOASSOCIATION | SCHRODINGER-EQUATION | ENVIRONMENT | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Schrodinger equation solver | LONG-RANGE MOLECULES | QUANTUM DYNAMICS | Mapped Fourier method | Discrete variable representation | Ultra-cold atomic photoassociation | Singularity of Coulomb potential | SPECTRUM | SIMULATIONS

Journal Article

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, ISSN 0953-4075, 04/2020, Volume 53, Issue 8, p. 85001

We develop a nondirect product discrete variable representation (npDVR) for treating quantum dynamical problems which involve nonseparable angular variables....

ROTATION | spherical functions | QUANTUM | INVARIANT | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | HYDROGEN-ATOM | discrete variable representation | REACTIVE SCATTERING | Lebedev quandratures on unit sphere | QUADRATURE | OPTICS | nondirect product grid | FORMULAS | Schrodinger equation with nonseparable angular variables

ROTATION | spherical functions | QUANTUM | INVARIANT | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | HYDROGEN-ATOM | discrete variable representation | REACTIVE SCATTERING | Lebedev quandratures on unit sphere | QUADRATURE | OPTICS | nondirect product grid | FORMULAS | Schrodinger equation with nonseparable angular variables

Journal Article

6.
Full Text
Nondirect product discrete variable representation in multidimensional quantum problems

AIP Conference Proceedings, ISSN 0094-243X, 2012, Volume 1479, Issue 1, pp. 1200 - 1203

We have developed a method for treating different quantum few-body dynamics without traditional partial-wave analysis. The key element of the method is a...

angular momentum operator | partial-waves | resonant molecule formation | finite differences | Lagrange-meshes | Schrödinger equation | atomic traps | Discrete variable representation | splitting-up methods | quantum scattering | ultracold atoms | wave-packet | eigenvalue | NUMERICAL ANALYSIS | EXCITATION | FOUR-DIMENSIONAL CALCULATIONS | TRAPS | SCHROEDINGER EQUATION | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | MANY-BODY PROBLEM | ATOMIC AND MOLECULAR PHYSICS | MOLECULES | PARTIAL WAVES | MIXTURES | NONLINEAR PROBLEMS | TIME DEPENDENCE

angular momentum operator | partial-waves | resonant molecule formation | finite differences | Lagrange-meshes | Schrödinger equation | atomic traps | Discrete variable representation | splitting-up methods | quantum scattering | ultracold atoms | wave-packet | eigenvalue | NUMERICAL ANALYSIS | EXCITATION | FOUR-DIMENSIONAL CALCULATIONS | TRAPS | SCHROEDINGER EQUATION | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | MANY-BODY PROBLEM | ATOMIC AND MOLECULAR PHYSICS | MOLECULES | PARTIAL WAVES | MIXTURES | NONLINEAR PROBLEMS | TIME DEPENDENCE

Conference Proceeding

Molecular Physics, ISSN 0026-8976, 07/2016, Volume 114, Issue 13, pp. 2014 - 2028

The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) [ 1 ] is generalised to obtain a straightforward, surprisingly accurate, and...

basis set | Sinc function | resolution-of-the-identity | electronic structure | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CUBANE | REACTIVE SCATTERING | SIMULATION | CONDENSED-PHASE | MATRIX KOHN METHOD | DISCRETE VARIABLE REPRESENTATION | SYSTEMS | HAMILTONIANS | TRANSFORM COULOMB METHOD | FINITE-DIFFERENCE | Operators | Coulomb friction | Ionization | Mathematical analysis | Electronics | Mathematical models | Representations | Absorption cross sections | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | sinc function

basis set | Sinc function | resolution-of-the-identity | electronic structure | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CUBANE | REACTIVE SCATTERING | SIMULATION | CONDENSED-PHASE | MATRIX KOHN METHOD | DISCRETE VARIABLE REPRESENTATION | SYSTEMS | HAMILTONIANS | TRANSFORM COULOMB METHOD | FINITE-DIFFERENCE | Operators | Coulomb friction | Ionization | Mathematical analysis | Electronics | Mathematical models | Representations | Absorption cross sections | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | sinc function

Journal Article

ELECTRONIC JOURNAL OF STATISTICS, ISSN 1935-7524, 2014, Volume 8, Issue 1, pp. 1063 - 1085

In this paper we investigate the stick-breaking representation for the class of a-stable Poisson-Kingman models, also known as Gibbs-type random probability...

DISTRIBUTIONS | Bayesian nonparametrics | Gamma random variable | discrete random Probability measure | C-functions | exponential tilting | STATISTICS & PROBABILITY | sigma-stable Poisson-Kingman model | DIRICHLET | stick-breaking prior | FUNCTIONALS | Beta random variable

DISTRIBUTIONS | Bayesian nonparametrics | Gamma random variable | discrete random Probability measure | C-functions | exponential tilting | STATISTICS & PROBABILITY | sigma-stable Poisson-Kingman model | DIRICHLET | stick-breaking prior | FUNCTIONALS | Beta random variable

Journal Article

PCCP Physical Chemistry Chemical Physics, ISSN 1463-9076, 2008, Volume 10, Issue 32, pp. 4716 - 4731

The ab initio water dimer interaction energies obtained from coupled cluster calculations and used in the CC-pol water pair potential (Bukowski et al.,...

ROTATION TUNNELING SPECTRUM | MATRIX KOHN METHOD | PERTURBATION-THEORY | DIMER INTERMOLECULAR VIBRATIONS | DISCRETE VARIABLE REPRESENTATION | MONOMER GEOMETRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | COUPLED 6-DIMENSIONAL CALCULATIONS | CHEMISTRY, PHYSICAL | TERAHERTZ LASER SPECTROSCOPY | REACTIVE SCATTERING | ENERGY SURFACE | Physics | Atomic and Molecular Clusters

ROTATION TUNNELING SPECTRUM | MATRIX KOHN METHOD | PERTURBATION-THEORY | DIMER INTERMOLECULAR VIBRATIONS | DISCRETE VARIABLE REPRESENTATION | MONOMER GEOMETRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | COUPLED 6-DIMENSIONAL CALCULATIONS | CHEMISTRY, PHYSICAL | TERAHERTZ LASER SPECTROSCOPY | REACTIVE SCATTERING | ENERGY SURFACE | Physics | Atomic and Molecular Clusters

Journal Article

PLoS ONE, ISSN 1932-6203, 07/2018, Volume 13, Issue 7, p. e0198586

Data assimilation is an important discipline in geosciences that aims to combine the information contents from both prior geophysical models and observational...

SATURATION CHANGES | PRESSURE | PSEUDOPERIODIC TIME-SERIES | MULTIDISCIPLINARY SCIENCES | ENSEMBLE KALMAN FILTER | FRAMEWORK | SEISMIC DATA | SMOOTHER | COMPLEX NETWORK | Assimilation | Petroleum industry | Remote sensing | Case studies | Matching | Engineering | Data management | Covariance | Localization | Discrete Wavelet Transform | Data analysis | Petroleum engineering | Geophysics | Benchmarks | Big Data | Data processing | Covariance matrix | Sediments | Petroleum | Geophysical methods | Size reduction | Algorithms | Applied mathematics | Computer applications | Data collection | Seismic studies | Representations | Data assimilation

SATURATION CHANGES | PRESSURE | PSEUDOPERIODIC TIME-SERIES | MULTIDISCIPLINARY SCIENCES | ENSEMBLE KALMAN FILTER | FRAMEWORK | SEISMIC DATA | SMOOTHER | COMPLEX NETWORK | Assimilation | Petroleum industry | Remote sensing | Case studies | Matching | Engineering | Data management | Covariance | Localization | Discrete Wavelet Transform | Data analysis | Petroleum engineering | Geophysics | Benchmarks | Big Data | Data processing | Covariance matrix | Sediments | Petroleum | Geophysical methods | Size reduction | Algorithms | Applied mathematics | Computer applications | Data collection | Seismic studies | Representations | Data assimilation

Journal Article

Reports on Progress in Physics, ISSN 0034-4885, 11/2011, Volume 74, Issue 11, pp. 116001 - 24

This paper comprises a review of both the quasi-probability representations of infinite-dimensional quantum theory (including the Wigner function) and the more...

DISTRIBUTIONS | DECOHERENCE | TOMOGRAPHY | HIDDEN-VARIABLES | STATES | MECHANICS | PHYSICS, MULTIDISCIPLINARY | DISCRETE WIGNER FUNCTION | SYSTEMS | TELEPORTATION | FORMULATION | Frames | Representations | Criteria | Quantum theory | Information theory | Physics - Quantum Physics

DISTRIBUTIONS | DECOHERENCE | TOMOGRAPHY | HIDDEN-VARIABLES | STATES | MECHANICS | PHYSICS, MULTIDISCIPLINARY | DISCRETE WIGNER FUNCTION | SYSTEMS | TELEPORTATION | FORMULATION | Frames | Representations | Criteria | Quantum theory | Information theory | Physics - Quantum Physics

Journal Article

Automatica, ISSN 0005-1098, 1999, Volume 35, Issue 3, pp. 395 - 406

The paper concerns linear continuous-variable systems whose state can be measured only through a quantiser. As for an observer the system together with the...

Hybrid systems | Discrete-event representation | Quantisation | hybrid systems | quantisation | discrete-event representation | AUTOMATION & CONTROL SYSTEMS | ENGINEERING, ELECTRICAL & ELECTRONIC

Hybrid systems | Discrete-event representation | Quantisation | hybrid systems | quantisation | discrete-event representation | AUTOMATION & CONTROL SYSTEMS | ENGINEERING, ELECTRICAL & ELECTRONIC

Journal Article

JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 08/2011, Volume 135, Issue 6, p. 064101

In this paper we propose and test a method for computing numerically exact vibrational energy levels of a molecule with six atoms. We use a pruned product...

FINITE BASIS REPRESENTATION | VARIATIONAL METHOD | POLYATOMIC-MOLECULES | LANCZOS PROPAGATION METHOD | TRIATOMIC-MOLECULES | DISCRETE VARIABLE REPRESENTATION | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FORCE-FIELD | QUANTUM DYNAMICS CALCULATIONS | 4-ATOM MOLECULES

FINITE BASIS REPRESENTATION | VARIATIONAL METHOD | POLYATOMIC-MOLECULES | LANCZOS PROPAGATION METHOD | TRIATOMIC-MOLECULES | DISCRETE VARIABLE REPRESENTATION | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FORCE-FIELD | QUANTUM DYNAMICS CALCULATIONS | 4-ATOM MOLECULES

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 2008, Volume 128, Issue 16, p. 164116

The multiconfigurational time-dependent Hartree (MCTDH) approach facilitates multidimensional quantum dynamics calculations by representing the wavepacket in...

WAVE-PACKET | ANHARMONIC-OSCILLATORS | MOLECULAR-DYNAMICS | DISCRETE VARIABLE REPRESENTATION | SCHRODINGER-EQUATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PROPAGATING WAVEPACKETS | CONICAL INTERSECTION | MECHANICAL PROBLEMS | ELECTRON-TRANSFER PROCESSES | PRODUCT REPRESENTATION | Chemical Sciences | Physics

WAVE-PACKET | ANHARMONIC-OSCILLATORS | MOLECULAR-DYNAMICS | DISCRETE VARIABLE REPRESENTATION | SCHRODINGER-EQUATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PROPAGATING WAVEPACKETS | CONICAL INTERSECTION | MECHANICAL PROBLEMS | ELECTRON-TRANSFER PROCESSES | PRODUCT REPRESENTATION | Chemical Sciences | Physics

Journal Article

Oberwolfach Reports, ISSN 1660-8933, 2018, Volume 15, Issue 1, pp. 43 - 123

The workshop “Topology of arrangements and representation stability” brought together two directions of research: the topology and geometry of hyperplane,...

Several complex variables and analytic spaces | Group theory and generalizations | Convex and discrete geometry | Algebraic geometry

Several complex variables and analytic spaces | Group theory and generalizations | Convex and discrete geometry | Algebraic geometry

Journal Article

16.
Full Text
Why complex absorbing potentials work : a discrete-variable-representation perspective

Phys. Rev. A, ISSN 1050-2947, 09/2006, Volume 74, Issue Sep. 2006

Journal Article

PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART B-JOURNAL OF ENGINEERING MANUFACTURE, ISSN 0954-4054, 05/2016, Volume 230, Issue 5, pp. 909 - 922

In traditional assembly dimensional chain theory, actual geometrical features are obtained by translating or rotating from the nominal geometrical features....

MATHEMATICAL-MODEL | dimensional chain | Tolerance analysis | REPRESENTATION | assembly datum | ENGINEERING, MANUFACTURING | discrete characterization | Monte Carlo simulation | GEOMETRIC TOLERANCES | ENGINEERING, MECHANICAL | STATISTICAL TOLERANCE ANALYSIS | Gravitation | Monte Carlo methods | Computer simulation | Chains | Mathematical models | Tolerances | Assemblies | Deviation

MATHEMATICAL-MODEL | dimensional chain | Tolerance analysis | REPRESENTATION | assembly datum | ENGINEERING, MANUFACTURING | discrete characterization | Monte Carlo simulation | GEOMETRIC TOLERANCES | ENGINEERING, MECHANICAL | STATISTICAL TOLERANCE ANALYSIS | Gravitation | Monte Carlo methods | Computer simulation | Chains | Mathematical models | Tolerances | Assemblies | Deviation

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 08/2010, Volume 133, Issue 5, pp. 054701 - 054701-10

Lateral interactions between carbon monoxide molecules adsorbed on a copper Cu(100) surface are investigated via semiclassical initial value representation...

TIME-CORRELATION FUNCTIONS | COMPLEX-SYSTEMS | CARBON-MONOXIDE | THERMAL RATE CONSTANTS | ADSORBED MOLECULES | DISCRETE VARIABLE REPRESENTATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | VIBRATIONAL-ENERGY LEVELS | METAL-SURFACES | CLASSICAL S-MATRIX | QUANTUM CALCULATIONS

TIME-CORRELATION FUNCTIONS | COMPLEX-SYSTEMS | CARBON-MONOXIDE | THERMAL RATE CONSTANTS | ADSORBED MOLECULES | DISCRETE VARIABLE REPRESENTATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | VIBRATIONAL-ENERGY LEVELS | METAL-SURFACES | CLASSICAL S-MATRIX | QUANTUM CALCULATIONS

Journal Article

Complexity, ISSN 1076-2787, 12/2017, Volume 2017, pp. 1 - 12

We present a new technique for defining, analysing, and simplifying digital functions, through hand-calculations, easily demonstrable therefore in the...

CIRCUITS | SYSTEM | MANIPULATION | DESIGN | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | BINARY DECISION DIAGRAMS | MULTILEVEL LOGIC | MULTIDISCIPLINARY SCIENCES | Discrete systems | Boolean algebra | Integrated circuits | Variables | Design | Boolean functions | Maps | Algorithms | Transformations (mathematics) | Mathematical analysis | Education | International conferences | Graphical representations | Logic | Methods

CIRCUITS | SYSTEM | MANIPULATION | DESIGN | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | BINARY DECISION DIAGRAMS | MULTILEVEL LOGIC | MULTIDISCIPLINARY SCIENCES | Discrete systems | Boolean algebra | Integrated circuits | Variables | Design | Boolean functions | Maps | Algorithms | Transformations (mathematics) | Mathematical analysis | Education | International conferences | Graphical representations | Logic | Methods

Journal Article