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 - <p style="text-align: justify;">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.</p>