ELECTRONIC STATES AND RADIATIVE TRANSITIONS IN LIAR

被引:34
作者
GU, JP
HIRSCH, G
BUENKER, RJ
PETSALAKIS, ID
THEODORAKOPOULOS, G
HUANG, MB
机构
[1] NATL HELLEN RES FDN,INST THEORET & PHYS CHEM,GR-11635 ATHENS,GREECE
[2] UNIV SCI & TECHNOL CHINA,DEPT MODERN CHEM,HEFEI 230026,PEOPLES R CHINA
关键词
D O I
10.1016/0009-2614(94)01198-2
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
Ab initio MRD-CI calculations have been carried out on the ground and the eight lowest excited electronic states of LiAr, correlating with excited Li atom states up to 3d D-2. The ground (X (2) Sigma(2s)) and 2 (2) Sigma(+) (2p) electronic states are repulsive while the higher excited states show shallow Rydberg minima. Rates of radiative bound-bound and bound-free transitions have been also calculated.
引用
收藏
页码:473 / 479
页数:7
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