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A new formulation of three-body dynamical correlation energy for explicit potential functions

Authors :
António J. C. Varandas
Source :
Chemical Physics Letters. 194:333-340
Publication Year :
1992
Publisher :
Elsevier BV, 1992.

Abstract

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 .

Details

ISSN :
00092614
Volume :
194
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi...........05309b9a24532ad69afc856ea10ecad0