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Multidimensional Franck-Condon integrals in the case of strong normal coordinate mixing

Multidimensional Franck-Condon integrals for electronic transitions in the case of strong normal coordinate mixing are calculated. A two-step procedure is used. First the initial state is expanded in a rotated intermediate basis and then one-dimensional Franck-Condon integrals between intermediate b...

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Bibliographic Details
Published in:Chemical physics 1988-05, Vol.122 (1), p.157-167
Main Author: Subbi, J.
Format: Article
Language:English
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Summary:Multidimensional Franck-Condon integrals for electronic transitions in the case of strong normal coordinate mixing are calculated. A two-step procedure is used. First the initial state is expanded in a rotated intermediate basis and then one-dimensional Franck-Condon integrals between intermediate basis and the final state are calculated. Vibrationless and vibrationally singly excited initial states are considered. For two dimensions exact results are obtained, for higher dimensions first-order formulas are presented.
ISSN:0301-0104
DOI:10.1016/0301-0104(88)87268-9