Potential Curves and Nonadiabatic Coupling Matrix Elements for the O+-Ne System

被引:1
作者
Halkjaer, Ole [1 ]
Linderberg, Jan [1 ]
机构
[1] Aarhus Univ, Dept Chem, DK-8000 Aarhus C, Denmark
关键词
D O I
10.1002/qua.560160849
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
An ensemble-average one-electron potential is used to define a molecular orbital basis suitable for the simultaneous description of a set of low-lying electronic states. The common basis simplifies the construction of the coupling between different Born-Oppenheimer states, and the required matrix elements are calculated. A new excitation mechanism is developed for inelastic scattering of O+ on Ne.
引用
收藏
页码:475 / 484
页数:10
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