Theoretical study of the electronic states of the Rb2 molecule

被引：82

作者：

Park, SJ ^{[1
]}

Suh, SW

Lee, YS

Jeung, GH

机构：

[1] Korea Adv Inst Sci & Technol, Dept Chem, Taejon 305701, South Korea

[2] Korea Adv Inst Sci & Technol, Sch Mol Sci BK21, Taejon 305701, South Korea

[3] Univ Paris 11, CNRS UPR3321, Aime Cotton Lab, F-91405 Orsay, France

[4] Univ Paris 11, CNRS UPR 9029, F-91405 Orsay, France

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2001年 / 207卷 / 02期

关键词：

D O I：

10.1006/jmsp.2001.8337

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

We have calculated the electronic states of Rb-2 by multireference configuration interactions using the averaged relativistic effective small-core potential and the core-polarization potential. The potential energy curves for a large number of states dissociating into from 5s + 5s up to 7s + 5s asymptotic limits are calculated and the spectroscopic constants are reported. The spin-orbit effects for the states dissociating into 5p + 5s and 4d + 5s are calculated using the effective spin-orbit potential. The results are compared with available experimental data and other theoretical works. (C) 2001 Academic Press.

引用

页码：129 / 135

页数：7

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