DEFORMATION OF ATOMIC DENSITY IN A HOMONUCLEAR DIATOMIC MOLECULE DUE TO DISPERSION INTERACTION

被引：4
|
作者：
EGOROV, SA
MARCH, NH
机构：
[1] Theoretical Chemistry Department, University of Oxford, Oxford, OX1 3UB
来源：
PHYSICS LETTERS A | 1991年 / 157卷 / 01期
关键词：
D O I：
10.1016/0375-9601(91)90408-Z
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
As shown by Koide, the dispersion energy can be written in terms of wave number and frequency dependent polarizabilities. His result is here combined with the Hellmann-Feynman theorem to express the deformation of the atomic density at large separation in a homonuclear diatomic molecule in terms of these polarizabilities. The Gurney-Magee wave function for H-2 is given as an example of an approximate procedure to treat such a deformation in a simple, compact way.
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页码：57 / 59
页数：3
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