1990, Current physics--sources and comments, ISBN 9780444885975, Volume 7, xiv, 580

Book

Journal of Chemical Physics, ISSN 0021-9606, 06/2011, Volume 134, Issue 21, pp. 214113 - 214113-14

The distinctive desirable features, both mathematically and physically meaningful, for all partially contracted multi-state multi-reference perturbation...

FIELD REFERENCE FUNCTIONS | EFFICIENT IMPLEMENTATION | MANY-BODY PROBLEM | MODEL-SPACE COEFFICIENTS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPEN-SHELL SYSTEMS | GAS-PHASE | CHEMISTRY, PHYSICAL | MOLECULAR ELECTRONIC-STRUCTURE | CONICAL INTERSECTIONS | EXCITED-STATES

FIELD REFERENCE FUNCTIONS | EFFICIENT IMPLEMENTATION | MANY-BODY PROBLEM | MODEL-SPACE COEFFICIENTS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPEN-SHELL SYSTEMS | GAS-PHASE | CHEMISTRY, PHYSICAL | MOLECULAR ELECTRONIC-STRUCTURE | CONICAL INTERSECTIONS | EXCITED-STATES

Journal Article

Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 03/2012, Volume 2, Issue 2, pp. 254 - 272

Basic concepts and most recent developments of symmetry‐adapted perturbation theory (SAPT) are described. In particular, the methods that combine SAPT with...

ELECTROSTATIC INTERACTIONS | SHORT-RANGE REPULSION | CONVERGENCE PROPERTIES | DISPERSION ENERGIES | POTENTIAL-ENERGY SURFACE | MATHEMATICAL & COMPUTATIONAL BIOLOGY | MANY-BODY THEORY | FULL CONFIGURATION-INTERACTION | DENSITY-FUNCTIONAL THEORY | CHEMISTRY, MULTIDISCIPLINARY | DER-WAALS FORCES | EXCITED-STATES

ELECTROSTATIC INTERACTIONS | SHORT-RANGE REPULSION | CONVERGENCE PROPERTIES | DISPERSION ENERGIES | POTENTIAL-ENERGY SURFACE | MATHEMATICAL & COMPUTATIONAL BIOLOGY | MANY-BODY THEORY | FULL CONFIGURATION-INTERACTION | DENSITY-FUNCTIONAL THEORY | CHEMISTRY, MULTIDISCIPLINARY | DER-WAALS FORCES | EXCITED-STATES

Journal Article

Physics Reports, ISSN 0370-1573, 05/2017, Volume 688, Issue C, pp. 1 - 35

We give a systematic review of the adiabatic theorem and the leading non-adiabatic corrections in periodically-driven (Floquet) systems. These corrections have...

INTENSE LASER-PULSES | MANY-BODY SYSTEM | QUASI-ENERGIES | PHYSICS, MULTIDISCIPLINARY | ELECTRIC-FIELD | THERMODYNAMIC LIMIT | ATOMIC STABILIZATION | DYNAMIC LOCALIZATION | TOPOLOGICAL INSULATOR | FLOQUET THEORY | BROAD-BAND

INTENSE LASER-PULSES | MANY-BODY SYSTEM | QUASI-ENERGIES | PHYSICS, MULTIDISCIPLINARY | ELECTRIC-FIELD | THERMODYNAMIC LIMIT | ATOMIC STABILIZATION | DYNAMIC LOCALIZATION | TOPOLOGICAL INSULATOR | FLOQUET THEORY | BROAD-BAND

Journal Article

Journal of Chemical Physics, ISSN 0021-9606, 09/2014, Volume 141, Issue 9, p. 094107

Binding energies for the complexes of the S12L database by Grimme [Chem. Eur. J. 18, 9955 (2012)] were calculated using intermolecular symmetry-adapted...

HARTREE-FOCK INTERACTION | DNA-BASE PAIRS | EXCITATION-ENERGIES | CORRELATED MOLECULAR CALCULATIONS | EXCHANGE-INDUCTION ENERGIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DENSITY-FUNCTIONAL-THEORY | CHEMISTRY, PHYSICAL | MANY-BODY THEORY | ZETA-VALENCE QUALITY | FULL CONFIGURATION-INTERACTION | GAUSSIAN-BASIS SETS | Perturbation theory | DENSITY FUNCTIONAL METHOD | PERTURBATION THEORY | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | DECOMPOSITION | ATOMS | BINDING ENERGY | COMPARATIVE EVALUATIONS | DIMERS | INTERACTIONS | MOLECULES

HARTREE-FOCK INTERACTION | DNA-BASE PAIRS | EXCITATION-ENERGIES | CORRELATED MOLECULAR CALCULATIONS | EXCHANGE-INDUCTION ENERGIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DENSITY-FUNCTIONAL-THEORY | CHEMISTRY, PHYSICAL | MANY-BODY THEORY | ZETA-VALENCE QUALITY | FULL CONFIGURATION-INTERACTION | GAUSSIAN-BASIS SETS | Perturbation theory | DENSITY FUNCTIONAL METHOD | PERTURBATION THEORY | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | DECOMPOSITION | ATOMS | BINDING ENERGY | COMPARATIVE EVALUATIONS | DIMERS | INTERACTIONS | MOLECULES

Journal Article

Physics Letters B, ISSN 0370-2693, 11/2018, Volume 786, pp. 195 - 200

A Rayleigh–Schrödinger many-body perturbation theory (MBPT) approach is introduced by making use of a particle-number-breaking Bogoliubov reference state to...

Perturbation theory | Ab initio | Open-shell nuclei | Many-body theory | ASTRONOMY & ASTROPHYSICS | GREENS-FUNCTION | PHYSICS, NUCLEAR | PHYSICS, PARTICLES & FIELDS | Physics - Nuclear Theory

Perturbation theory | Ab initio | Open-shell nuclei | Many-body theory | ASTRONOMY & ASTROPHYSICS | GREENS-FUNCTION | PHYSICS, NUCLEAR | PHYSICS, PARTICLES & FIELDS | Physics - Nuclear Theory

Journal Article

1962, Series in physics, 235

Book

Annual Review of Physical Chemistry, ISSN 0066-426X, 5/2016, Volume 67, Issue 1, pp. 467 - 488

Symmetry-adapted perturbation theory (SAPT) provides a unique set of advantages for parameterizing next-generation force fields from first principles. SAPT...

energy decomposition | molecular dynamics | many-body interactions | Molecular dynamics | Many-body interactions | Energy decomposition | SPECTROSCOPIC ACCURACY | CHEMISTRY, PHYSICAL | PHASE-EQUILIBRIA PREDICTIONS | DISPERSION ENERGIES | INITIO PAIR POTENTIALS | POTENTIAL-ENERGY SURFACE | INTERMOLECULAR INTERACTION ENERGIES | SMALL ORGANIC-MOLECULES | DENSITY-FUNCTIONAL THEORY | DISTRIBUTED MULTIPOLE ANALYSIS | WATER PAIR | Quantum theory | Research

energy decomposition | molecular dynamics | many-body interactions | Molecular dynamics | Many-body interactions | Energy decomposition | SPECTROSCOPIC ACCURACY | CHEMISTRY, PHYSICAL | PHASE-EQUILIBRIA PREDICTIONS | DISPERSION ENERGIES | INITIO PAIR POTENTIALS | POTENTIAL-ENERGY SURFACE | INTERMOLECULAR INTERACTION ENERGIES | SMALL ORGANIC-MOLECULES | DENSITY-FUNCTIONAL THEORY | DISTRIBUTED MULTIPOLE ANALYSIS | WATER PAIR | Quantum theory | Research

Journal Article

New Journal of Physics, ISSN 1367-2630, 09/2018, Volume 20, Issue 9, p. 93022

We develop a low-frequency perturbation theory in the extended Floquet Hilbert space of a periodically driven quantum systems, which puts the high- and...

Floquet theory | driven systems | non-equilibrium quantum systems | perturbation theory | adiabatic limit | MANY-BODY SYSTEM | STATES | TOPOLOGICAL INSULATORS | PHYSICS, MULTIDISCIPLINARY | TIME | TRANSITIONS

Floquet theory | driven systems | non-equilibrium quantum systems | perturbation theory | adiabatic limit | MANY-BODY SYSTEM | STATES | TOPOLOGICAL INSULATORS | PHYSICS, MULTIDISCIPLINARY | TIME | TRANSITIONS

Journal Article

Computer Physics Communications, ISSN 0010-4655, 11/2016, Volume 208, Issue C, pp. 149 - 161

We summarize the code that implements density-functional theory and many-body perturbation theory in a Gaussian basis set. The code is dedicated to the...

Many-body perturbation theory | [formula omitted] approximation | Electronic structure of molecules | Bethe–Salpeter equation | GW approximation | AUXILIARY BASIS-SETS | OPTICAL-PROPERTIES | ELECTRON-AFFINITIES | QUASI-PARTICLE | GW-METHOD | PHYSICS, MATHEMATICAL | HARTREE-FOCK | COVALENT CRYSTAL | CONVERGENCE ACCELERATION | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | APPROXIMATE COULOMB POTENTIALS | DENSITY-FUNCTIONAL THEORY | Bethe-Salpeter equation | Perturbation theory | Approximation | Mathematical analysis | Clusters | Mathematical models | Energy of solution | Programming languages | Nuclear Experiment | Nuclear Theory | Physics | MATHEMATICS AND COMPUTING | PHYSICS OF ELEMENTARY PARTICLES AND FIELDS | ATOMIC AND MOLECULAR PHYSICS

Many-body perturbation theory | [formula omitted] approximation | Electronic structure of molecules | Bethe–Salpeter equation | GW approximation | AUXILIARY BASIS-SETS | OPTICAL-PROPERTIES | ELECTRON-AFFINITIES | QUASI-PARTICLE | GW-METHOD | PHYSICS, MATHEMATICAL | HARTREE-FOCK | COVALENT CRYSTAL | CONVERGENCE ACCELERATION | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | APPROXIMATE COULOMB POTENTIALS | DENSITY-FUNCTIONAL THEORY | Bethe-Salpeter equation | Perturbation theory | Approximation | Mathematical analysis | Clusters | Mathematical models | Energy of solution | Programming languages | Nuclear Experiment | Nuclear Theory | Physics | MATHEMATICS AND COMPUTING | PHYSICS OF ELEMENTARY PARTICLES AND FIELDS | ATOMIC AND MOLECULAR PHYSICS

Journal Article

Molecular Physics, ISSN 0026-8976, 11/2015, Volume 113, Issue 22, pp. 3459 - 3470

We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit...

molecular crystals | coupled-cluster perturbation theory | self-consistent embedding theory | HYDROGEN-FLUORIDE | BORON | MANY-BODY PERTURBATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | COUPLED-CLUSTER | ACCURATE CALCULATIONS | SPECTRA | BASIS-SET CONVERGENCE | GAUSSIAN-BASIS SETS

molecular crystals | coupled-cluster perturbation theory | self-consistent embedding theory | HYDROGEN-FLUORIDE | BORON | MANY-BODY PERTURBATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | COUPLED-CLUSTER | ACCURATE CALCULATIONS | SPECTRA | BASIS-SET CONVERGENCE | GAUSSIAN-BASIS SETS

Journal Article