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On the Validity of the Born−Oppenheimer Separation and the Accuracy of Diagonal Corrections in Anharmonic Molecular Vibrations†

✍ Scribed by Hirata, So; Miller, Edward B.; Ohnishi, Yu-ya; Yagi, Kiyoshi


Book ID
115528159
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
643 KB
Volume
113
Category
Article
ISSN
1089-5639

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In this paper we discuss the dependence of calculated nonradiative transition rates on the viimnic wavefunctions chosen to describe excited molecular states. We comment on several fallacies and ambiguities in the literature and suggest a simple resolution to the problem.