Quartet and sextet states of CS-

被引：25

作者：

Hochlaf, M ^{[1
]}

Chambaud, G

Rosmus, P

Andersen, T

Werner, HJ

机构：

[1] Univ Marne la Vallee, Theoret Chem Grp, F-77454 Champs sur Marne, France

[2] Aarhus Univ, Inst Phys & Astron, DK-8000 Aarhus, Denmark

[3] Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 110卷 / 24期

关键词：

D O I：

10.1063/1.479125

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 potential energy and spin-orbit functions have been calculated for several electronic states of CS and CS-. Comparison with experimental data for CS shows very good agreement, making reliable predictions possible for the CS- molecule such as the existence of long-lived metastable states. The a (4)Sigma(-), b (4)Pi, and a (6)Pi states were found to lie energetically below the triplet or quintet states of the CS molecule. The calculated spin-orbit integrals between the electronic states suggest that the depletion of the J=5/2 or 7/2 components in the Pi states will mainly occur via weak interactions with the electron continuum wave. (C) 1999 American Institute of Physics. [S0021-9606(99)31424-0].

引用

页码：11835 / 11840

页数：6

共 47 条

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