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Efficient calculation of potential energy surfaces for the generation of vibrational wave functions
Author(s):
Guntram Rauhut
Publication date
Created:
November 15 2004
Publication date
(Print):
November 15 2004
Journal:
The Journal of Chemical Physics
Publisher:
AIP Publishing
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54
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Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
Anthony P. Scott
,
Leo Radom
(1996)
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Simplification of the molecular vibration-rotation hamiltonian
James Watson
(1968)
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Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies
Stefan Grimme
(2003)
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Author and article information
Journal
Title:
The Journal of Chemical Physics
Abbreviated Title:
The Journal of Chemical Physics
Publisher:
AIP Publishing
ISSN (Print):
0021-9606
ISSN (Electronic):
1089-7690
Publication date Created:
November 15 2004
Publication date (Print):
November 15 2004
Volume
: 121
Issue
: 19
Pages
: 9313-9322
Article
DOI:
10.1063/1.1804174
PubMed ID:
15538851
SO-VID:
0f4eac01-a491-425d-a6a7-6aa4afe5cb69
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© 2004
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