Rovibronic coupling in the Na-3 B system

被引:21
作者
Mayer, M
Cederbaum, LS
Koppel, H
机构
[1] Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg
关键词
D O I
10.1063/1.471627
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 rovibronic spectrum of the Na-3 B system is computed taking into account fulI rovibronic coupling between different vibronic states. The rovibronic coupling matrix elements are calculated using the vibronic states following from a pseudo Jahn-Teller model for the vibronic dynamics in the B system. Comparison with results of optical-optical double resonance measurements [W. E. Ernst and S. Rakowsky, Can. J. Phys, 72, 1307 (1994)] shows good agreement. In particular, certain properties of the Coriolis splittings, so far explained by an ad hoc spin-rotation interaction, are now well understood as the consequence of rovibronic coupling between two vibronic states, A general discussion of rovibronic dynamics on electronic potential energy surfaces with three equivalent minima is presented. (C) 1996 American Institute of Physics.
引用
收藏
页码:8932 / 8942
页数:11
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