Related references
Note: Only part of the references are listed.Extensivity of Energy and Electronic and Vibrational Structure Methods for Crystals
So Hirata et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections
Matthew R. Hermes et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Size-extensive vibrational self-consistent field method
Murat Keceli et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Thermodynamic limit and size-consistent design
So Hirata
THEORETICAL CHEMISTRY ACCOUNTS (2011)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
First-principles theories for anharmonic lattice vibrations
So Hirata et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections
Devin A. Matthews et al.
MOLECULAR PHYSICS (2009)
Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6
Kiyoshi Yagi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Efficient configuration selection scheme for vibrational second-order perturbation theory
Kiyoshi Yagi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Treatment of Fermi resonance effects on transition moments in vibrational perturbation theory
Juana Vazquez et al.
MOLECULAR PHYSICS (2007)
Calculated stretching overtone levels and Darling-Dennisonresonances in water: a triumph of simple theoretical approaches
Devin A. Matthews et al.
MOLECULAR PHYSICS (2007)
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
JOURNAL OF CHEMICAL PHYSICS (2005)
Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximation
V Barone
JOURNAL OF CHEMICAL PHYSICS (2004)
Vibrational coupled cluster theory
O Christiansen
JOURNAL OF CHEMICAL PHYSICS (2004)
Moller-Plesset perturbation theory for vibrational wave functions
O Christiansen
JOURNAL OF CHEMICAL PHYSICS (2003)
Share Paper
