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.

引用

页码：57 / 59

页数：3