Second-order many-body perturbation expansions of vibrational Dyson self-energies.
about
Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation.CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.Stochastic many-body perturbation theory for anharmonic molecular vibrations.Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical ActivityNew developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra.Generalized Vibrational Perturbation Theory for Rotovibrational Energies of Linear, Symmetric and Asymmetric Tops: Theory, Approximations, and Automated Approaches to Deal with Medium-to-Large Molecular Systems.Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane.Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces.Higher-order diagrammatic vibrational coupled-cluster theory.Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene.Computational Tools for Structure, Spectroscopy and Thermochemistry
P2860
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P2860
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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name
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
@en
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
@nl
type
label
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
@en
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
@nl
prefLabel
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
@en
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
@nl
P2860
P356
P1476
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
@en
P2093
Matthew R Hermes
P2860
P304
P356
10.1063/1.4813123
P407
P577
2013-07-01T00:00:00Z