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.