A NEW FORMULATION OF 3-BODY DYNAMIC CORRELATION-ENERGY FOR EXPLICIT POTENTIAL FUNCTIONS

被引：66

作者：

VARANDAS, AJC

机构：

[1] Departamento de Química, Universidade de Coimbra

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 194卷 / 4-6期

关键词：

D O I：

10.1016/0009-2614(92)86060-U

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：

A new formulation of the three-body dynamical correlation energy is presented which allows a correct description of the anisotropic long-range forces for all atom-diatom dissociation channels of a triatomic system. including the known dependence on the diatomic intramolecular coordinate. Illustrative results are reported for H-3.

引用

页码：333 / 340

页数：8