Second-order many-body perturbation study of ice Ih
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November 2012 |
Second-Order Many-Body Perturbation Study on Thermal Expansion of Solid Carbon Dioxide
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December 2014 |
Ice Ih anomalies: Thermal contraction, anomalous volume isotope effect, and pressure-induced amorphization
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May 2016 |
Role of Low-Energy Phonons in Thermal Conduction
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August 1954 |
Theory of Thermal Conductivity of Anharmonic Crystals
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May 1973 |
Theory of thermal conductivity of anharmonic crystals: Nondiagonal Peierls contribution
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November 1974 |
Temperature pulses in dielectric solids
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October 1968 |
Helmholtz Free Energy of an Anharmonic Crystal toO(λ4)
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June 1971 |
Fermi resonance in solid CO 2 under pressure
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February 2013 |
Response to “Comment on ‘Fermi resonance in solid CO 2 under pressure’” [J. Chem. Phys. 140, 177101 (2014)]
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May 2014 |
Anharmonic Phonon Dispersion in Polyethylene
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November 2020 |
Thermodynamic limit and size-consistent design
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June 2011 |
Extensivity of Energy and Electronic and Vibrational Structure Methods for Crystals
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May 2012 |
On the mutual exclusion of variationality and size consistency
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January 2014 |
The use of a model in anharmonic lattice dynamics
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January 1958 |
Theory of the Self-Consistent Harmonic Approximation with Application to Solid Neon
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July 1966 |
Properties of Crystalline Argon and Neon in the Self-Consistent Phonon Approximation
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January 1968 |
First-Order Dyson Coordinates and Geometry
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May 2013 |
Helmholtz free energy of an anharmonic crystal toO(λ4). II
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October 1974 |
Anharmonic contributions to vibrational thermodynamic properties of solids
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September 1961 |
Anharmonic contributions to vibrational thermodynamic properties of solids
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September 1961 |
Anharmonic contributions to vibrational thermodynamic properties of solids
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May 1963 |
The lattice dynamics of an anharmonic crystal
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October 1963 |
Anharmonic crystals
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January 1968 |
Helmholtz free energy of an anharmonic crystal to O(λ4). III. Equation of state for the Lennard-Jones solid
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January 1985 |
Helmholtz free energy of an anharmonic crystal to O(λ4). IV. Thermodynamic properties of Kr and Xe for the Lennard-Jones, Morse, and Rydberg potentials
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August 1985 |
Anharmonic lattice vibrations in solid N2
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July 1978 |
Anharmonic lattice vibrations in solid N2
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December 1978 |
Un développement du potentiel de gibbs d'un système quantique composé d'un grand nombre de particules
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June 1958 |
Ground-State Energy of a Many-Fermion System
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April 1960 |
Ground-State Energy of a Many-Fermion System. II
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June 1960 |
Formulation de la me´canique statistique en termes de nombres d'occupation (I)
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May 1961 |
A New Approach to Quantum-Statistical Mechanics
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October 1955 |
Finite-temperature many-body perturbation theory for electrons: Algebraic recursive definitions, second-quantized derivation, linked-diagram theorem, general-order algorithms, and grand canonical and canonical ensembles
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September 2021 |
General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark Studies
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February 2012 |
HEAT: High accuracy extrapolated ab initio thermochemistry
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December 2004 |
Predictive electronic and vibrational many-body methods for molecules and macromolecules
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October 2008 |
Quantitative quantum chemistry
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August 2008 |
Fermi resonance in CO2: A combined electronic coupled-cluster and vibrational configuration-interaction prediction
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March 2007 |
Anharmonic vibrational properties of CH 2 F 2 : A comparison of theory and experiment
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December 1991 |
The anharmonic force field of ethylene, C 2 H 4 , by means of accurate ab initio calculations
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August 1995 |
General method for removing resonance singularities in quantum mechanical perturbation theory
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March 1996 |
Anharmonicity in the ring stretching modes of diborane
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June 1998 |
An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules
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February 2000 |
Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximation
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February 2004 |
Anharmonic vibrational properties by a fully automated second-order perturbative approach
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January 2005 |
Simple(r) algebraic equation for transition moments of fundamental transitions in vibrational second-order perturbation theory
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February 2006 |
Treatment of Fermi resonance effects on transition moments in vibrational perturbation theory
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January 2007 |
A fully automated implementation of VPT2 Infrared intensities
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August 2010 |
Simple perturbation theory estimates of equilibrium constants from force fields
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January 1991 |
Coherent state semiclassical initial value representation for the Boltzmann operator in thermal correlation functions
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June 2002 |
The self-consistent-field approach to polyatomic vibrations
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June 1986 |
Self‐consistent field energies and wavefunctions for coupled oscillators
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January 1978 |
Excited vibrational states of polyatomic molecules: the semiclassical self-consistent field approach
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January 1986 |
Investigations of self-consistent field, scf ci and virtual stateconfiguration interaction vibrational energies for a model three-mode system
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January 1982 |
Mo/ller–Plesset perturbation theory applied to vibrational problems
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December 1996 |
Vibrational coupled cluster theory
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February 2004 |
Exploring the effect of anharmonicity of molecular vibrations on thermodynamic properties
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December 2006 |
A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties
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May 2008 |
A thermal self-consistent field theory for the calculation of molecular vibrational partition functions
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September 2009 |
Finite-temperature vibrational full configuration interaction
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July 2021 |
First-principles theories for anharmonic lattice vibrations
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July 2010 |
Size-extensive vibrational self-consistent field method
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October 2011 |
Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO + , HCO, HNO, HOO, HOO – , CH 3 + , and CH 3
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April 2009 |
The Linear Response Approximation and Its Lowest Order Corrections: An Influence Functional Approach
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April 1999 |
Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections
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June 2012 |
Second-order many-body perturbation expansions of vibrational Dyson self-energies
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July 2013 |
Higher-order diagrammatic vibrational coupled-cluster theory
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October 2015 |
Similarity-transformed equation-of-motion vibrational coupled-cluster theory
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February 2018 |
Modeling physical systems by effective harmonic oscillators: The optimized quadratic approximation
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February 1995 |
Time‐dependent coupled cluster method: A new approach to the calculation of molecular absorption spectra
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June 1988 |
Coupled cluster description of anharmonic molecular vibrations. Application to O3 and SO2
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January 1994 |
Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: Convergence studies
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October 2008 |
Diagrammatic theories of anharmonic molecular vibrations
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December 2014 |
Normal-ordered second-quantized Hamiltonian for molecular vibrations
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November 2014 |
Finite-temperature many-body perturbation theory in the canonical ensemble
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February 2020 |
Finite-temperature many-body perturbation theory in the grand canonical ensemble
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July 2020 |
Degenerate RS perturbation theory
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February 1974 |
Normal ordered exponential approach to thermal properties and time-correlation functions: general theory and simple examples
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October 2021 |
One-particle many-body Green’s function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms
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July 2017 |
Low-temperature breakdown of many-body perturbation theory for thermodynamics
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January 2021 |
General solution to the Kohn–Luttinger nonconvergence problem
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August 2022 |
Ab initio vibrational state calculations with a quartic force field: Applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6
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July 2004 |
Multiresolution potential energy surfaces for vibrational state calculations
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July 2007 |
Bound States in Quantum Field Theory
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October 1951 |
Many-Body Problem for Strongly Interacting Particles. II. Linked Cluster Expansion
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October 1955 |
Perturbation theory of large quantum systems
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January 1957 |
Many-body basis for the optical model
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February 1960 |
The linked-diagram expansion of the ground state of a many-electron system: A time-independent derivation
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January 1977 |
George Green and physics
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August 1993 |
Stability of the thermal Hartree-Fock approximation
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January 1963 |
Koopmans' theorem in the statistical Hartree–Fock theory
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June 2011 |
Dyson-orbital concepts for description of electrons in molecules
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August 2020 |
The calculation of higher-order energies in the many-body perturbation theory series
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January 1985 |
Surprising cases of divergent behavior in Mo/ller–Plesset perturbation theory
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September 1996 |
High-order coupled-cluster calculations through connected octuple excitations
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April 2000 |