Dipole polarizabilities and C-6 dispersion coefficients for small atomic and molecular systems

被引：5

作者：

Magnasco, V

Ottonelli, M

机构：

[1] Laboratorio di Chimica Teorica, Dipartimento di Chimica, Chimica Industriale dell' Univ., 16146 Genoa

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 259卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(96)00795-6

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：

An accurate evaluation of C-6 dispersion coefficients for long-range interactions involving H, He, H-2(+) and H-2 has been performed using the London formula in terms of ab initio pseudostate decomposition of the static dipole polarizabilities of the individual atoms and molecules.

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页码：307 / 312

页数：6

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