A STUDY OF THE X-(2)SIGMA(+) AND A-(2)PI STATES OF MGAR+ AND MGKR+

被引:39
作者
BAUSCHLICHER, CW
PARTRIDGE, H
机构
[1] NASA Ames Research Center, Moffett Field
关键词
D O I
10.1016/0009-2614(95)00449-E
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 ground (2) Sigma(+) and lowest excited (II)-I-2 states of MgAr+ and MgKr+ are studied using the singles and doubles configuration-interaction (SDCI) approach, in conjunction with large basis sets. The effect of Mg core correlation and core polarization are accounted for using the core-polarization potential (CPP) approach. Franck-Condon factors, oscillator strengths, radiative lifetimes, dissociation energies, bond lengths, and excitation energies are reported. The computed results are in good agreement with the available experimental data.
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页码:241 / 245
页数:5
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