An Algebraic Expression of the Three-Dimensional Franck-Condon Factors and Its Application

An Algebraic Expression of the Three-Dimensional Franck-Condon Factors and Its Application

Year:    2011

Author:    Hong-Mo Huang, Jun Liang

Journal of Atomic and Molecular Sciences, Vol. 2 (2011), Iss. 2 : pp. 179–186

Abstract

A more general algebraic expression for the calculation of the four-mode Franck-Condon factors was derived straightforwardly on the basis of the closed form expression of the Franck-Condon integrals between arbitrary multidimensional harmonic oscillators under the Duschinsky mixing effects. This new algebraic expression was applied to study the photoelectron spectra of $D_2CO^+(\widetilde{A} ^2B_1).$ Franck-Condon analyses and spectral simulations were carried out on the $D_2CO^+(\widetilde{A} ^2B_1)$-$D_2CO(\widetilde{X} ^1A_1)$ photoionization processes. The spectral simulations of vibrational structures based on the computed Franck-Condon factors are in excellent agreement with the observed spectra.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/jams.120110.011411a

Journal of Atomic and Molecular Sciences, Vol. 2 (2011), Iss. 2 : pp. 179–186

Published online:    2011-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    8

Keywords:    overlap integral Franck-Condon factor Duschinsky effect spectral simulation.

Author Details

Hong-Mo Huang

Jun Liang

  1. A general formula for calculation of the two-dimensional Franck–Condon factors

    Koç, H.

    Mamedov, B.A.

    Eser, E.

    Canadian Journal of Physics, Vol. 95 (2017), Iss. 4 P.340

    https://doi.org/10.1139/cjp-2016-0475 [Citations: 2]