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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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