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

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1979年 / 16卷

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

页码：475 / 484

页数：10

共 18 条

[11]

Linderberg J, 1973, PROPAGATORS QUANTUM

[12] CALCULATION OF RADIAL COUPLINGS BETWEEN APPROXIMATE WAVEFUNCTIONS IN ATOMIC-COLLISIONS .2. [J].