Long-range potentials of polyatomic molecular ions
作者:
J.N. Murrell,
期刊:
Molecular Physics
(Taylor Available online 1987)
卷期:
Volume 62,
issue 6
页码: 1403-1408
ISSN:0026-8976
年代: 1987
DOI:10.1080/00268978700103051
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The potential energy surface of HeH2/+is used to illustrate the factors that arise when there is degeneracy in the electronic states of the charged fragments at dissociation limits. At short H-H distances the positive charge is shared equally between the two atoms. At large H-H distances, but one short H-He distance, the charge resides on one of the hydrogen atoms. These limits and intermediate situations, affect the induction and dispersion contributions on the HeH2/+potential energy surface.
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