Volume 2, Issue 2
An Algebraic Expression of the Three-Dimensional Franck-Condon Factors and Its Application

Hong-Mo Huang & Jun Liang

J. At. Mol. Sci., 2 (2011), pp. 179-186.

Published online: 2011-02

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  • 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.

  • Keywords

overlap integral, Franck-Condon factor, Duschinsky effect, spectral simulation.

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

hhmd@163.com (Hong-Mo Huang)

jliang@mail.ahnu.edu.cn (Jun Liang)

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  • TXT
@Article{JAMS-2-179, author = {Hong-Mo and Huang and hhmd@163.com and 6153 and Department of Physics, Anhui Tongcheng Normal College, Tongcheng 231400, China and Hong-Mo Huang and Jun and Liang and jliang@mail.ahnu.edu.cn and 6154 and College of Physics and Electronic Information, Anhui Normal University, Wuhu 241000, China and Jun Liang}, title = {An Algebraic Expression of the Three-Dimensional Franck-Condon Factors and Its Application}, journal = {Journal of Atomic and Molecular Sciences}, year = {2011}, volume = {2}, number = {2}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.120110.011411a}, url = {http://global-sci.org/intro/article_detail/jams/8123.html} }
TY - JOUR T1 - An Algebraic Expression of the Three-Dimensional Franck-Condon Factors and Its Application AU - Huang , Hong-Mo AU - Liang , Jun JO - Journal of Atomic and Molecular Sciences VL - 2 SP - 179 EP - 186 PY - 2011 DA - 2011/02 SN - 2 DO - http://doi.org/10.4208/jams.120110.011411a UR - https://global-sci.org/intro/article_detail/jams/8123.html KW - overlap integral, Franck-Condon factor, Duschinsky effect, spectral simulation. AB -

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.

Hong-Mo Huang & Jun Liang. (2019). An Algebraic Expression of the Three-Dimensional Franck-Condon Factors and Its Application. Journal of Atomic and Molecular Sciences. 2 (2). 179-186. doi:10.4208/jams.120110.011411a
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