Renner-Teller and spin-orbit interactions between the (A)over-tilde2A1 and the (X)over-tilde 2B1 states of NH2:: The stretch-bender approach

被引:11
|
作者
Alijah, A
Duxbury, G
机构
[1] Univ Bielefeld, Fak Chem, D-33615 Bielefeld, Germany
[2] Univ Strathclyde, Dept Phys & Appl Phys, Glasgow G4 0NG, Lanark, Scotland
基金
英国工程与自然科学研究理事会;
关键词
Renner-Teller; stretch-bender; electronic angular momentum; spin-orbit interaction; NH2;
D O I
10.1006/jmsp.2001.8479
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
The stretch-bender model, developed originally to describe the effects of stretch-bend interactions and Renner-Teller coupling in symmetrical triatomic molecules, has been extended to incorporate the effects of spin-orbit interaction and of overall rotation. A comparison is made between the treatment of spin-orbit interaction and of overall rotation in our model and in the MORBID approach of P. Jensen, M. Brumm, W. P. Kraemer, and P.R. Bunker (C) 2002 Elsevier Science.
引用
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页码:7 / 15
页数:9
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