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B. A. Mamedov Unified analytical treatment for calculation of the two-dimensional Franck–Condon factors using the duschinsky transformation International Journal of Quantum Chemistry 113

Article first published online: 13 AUG 2012 | DOI: 10.1002/qua.24313

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The Franck–Condon overlap integrals between the two electronic states determine the transition probabilities for various vibrational levels as well as intensities of various lines in the spectra of diatomic and polyatomic molecules. Using the Duschinsky effect, an efficient analytical calculation approach to compute the two-dimensional Franck-Condon factors, as the squares of the overlap intergrals are also known, is introduced in this work.

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