Consideration of Electronic-Vibrational Interactions in Calculations of Electronic Transition Moments for Diatomic Molecules
作者:
S.M. Yazykova,
N.E. Kuz'menko,
期刊:
Spectroscopy Letters
(Taylor Available online 1986)
卷期:
Volume 19,
issue 10
页码: 1137-1160
ISSN:0038-7010
年代: 1986
DOI:10.1080/00387018608069315
出版商: Taylor & Francis Group
关键词: Electronic transition moment;Diatomic molecules;Electronic-vibrational interaction
数据来源: Taylor
摘要:
Two different approaches to the determination of the dependence of the electronic transition moment on the internuclear distance, Me(R), are considered. It is shown that Me(R) dependences obtained by ab initio and semi-empirical methods take into account electronic-vibrational interactions in a various manner. In semi-empiral methods these interactions are take into account to a greater degree, than in non-empirical quantum-mechanical methods which do not include nonadiabatic corrections. A system of concepts, which allows to unite the information obtained in two different, mutually complementing ways, is considered in the paper.
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