Properties of H2+ relevant to the He-H2+ intermolecular potential:: asymptotically increasing multipole moments, polarizabilities and dispersion coefficients

被引:4
|
作者
Hutson, JM [1 ]
Ernesti, A [1 ]
机构
[1] Univ Durham, Dept Chem, Durham DH1 3LE, England
关键词
D O I
10.1080/002689799165774
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 quadrupole moment and polarizabilities of H-2(+) and the C-6 dispersion coefficients for He-H-2(+) are fitted to functional forms with the correct limiting behaviour for both large and small values of the H-H bond length r. Both the quadrupole moment and the dispersion coefficients increase quadratically with r at long range, while the polarizabilities increase exponentially. The reasons for the behaviour are analysed.
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页码:457 / 462
页数:6
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