THE LOW-LYING ELECTRONIC STATES OF LIC

被引：16
|
作者：
RICCA, A
BAUSCHLICHER, CW
机构：
[1] NASA Ames Research Center, Moffett Field
来源：
CHEMICAL PHYSICS LETTERS | 1995年 / 244卷 / 1-2期
关键词：
D O I：
10.1016/0009-2614(95)00909-N
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The spectroscopic constants for the doublet and quartet states of LiC below about 30000 cm(-1) are determined using an internally contracted multireference configuration-interaction approach in conjunction with a [6s5p3d2f] atomic natural orbital basis sets. All of the strongly bound states, X(4) Sigma(-), (1)(2) Delta, (1)(2) Sigma(+), and (2)(2) Pi, are very ionic in character. The only bound-bound quartet transition in this energy range is (2)(4) Sigma(-) - X(4) Sigma(-) and Franck-Condon factors, Einstein A values, and lifetimes are reported for this transition.
引用
收藏
页码：32 / 38
页数：7
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