Ab initio study of the core-excited OCS molecule: assignment of the L-shell excitation spectrum

被引：11

作者：

Brems, V ^{[1
]}

Nestmann, BM ^{[1
]}

Peyerimhoff, SD ^{[1
]}

机构：

[1] Univ Bonn, Lehrstuhl Theoret Chem, D-53115 Bonn, Germany

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 287卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(98)00180-8

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：

Term values and dipole transition probabilities of the vertical electronic transitions to L-shell excited states of OCS calculated by the configuration interaction method are compared to a well-resolved experimental L-shell excitation spectrum measured recently. The calculated vertical transitions are in good accordance with the prominent features of the experimental spectrum. A new assignment is proposed. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：255 / 262

页数：8

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