原子与分子物理学报Issue(3)：345-351,7.DOI:10.3969/j.issn.1000-0364.2015.03.001
Franck-Condon 因子计算及甲醛光电子能谱的理论研究
Calculation of Franck-Condon factors and theoretical investigation on the photoelectron spectra of Formaldehyde
摘要
Abstract
On the basis of the closed expression of the Franck-Condon overlap integrals between arbitrary multi-dimensional harmonic oscillators and considering influence of the Duschinsky effects, a more general algebraic expression for the calculation of the three -dimensional three -mode Franck -Condon factors was derived straightforwardly.This algebraic expression was applied to study the photoelectron spectra of H2 CO.Franck-Condon analyses and spectral simulations were carried out on the H2 CO+( B珘2 A1 )←H2 CO( X珘1 A1 ) photoionization processes.The spectral simulations of vibrational structures based on the computed Franck-Condon factors are in excellent agreement with the observed spectra.关键词
Franck-Condon因子/光电子能谱/光谱模拟/激发态Key words
Franck-Condon factor/Photoelectron spectrum/Spectral simulation/Excited state分类
数理科学引用本文复制引用
王双力,梁军,陶松涛,崔执凤..Franck-Condon 因子计算及甲醛光电子能谱的理论研究[J].原子与分子物理学报,2015,(3):345-351,7.基金项目
国家自然科学基金（21273009）；安徽省教育厅自然科学基金重点项目 （）
