AN ANALYTICAL REPRESENTATION OF THE MODEL POTENTIAL FOR BERYLLIUM TRIMERS

Citation
J. Hernandezcobos et al., AN ANALYTICAL REPRESENTATION OF THE MODEL POTENTIAL FOR BERYLLIUM TRIMERS, Molecular physics, 92(1), 1997, pp. 63-69
Citations number
28
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
92
Issue
1
Year of publication
1997
Pages
63 - 69
Database
ISI
SICI code
0026-8976(1997)92:1<63:AAROTM>2.0.ZU;2-5
Abstract
A 2- and 3-body model potential for the Be-3 cluster has been construc ted. The parameters of the 2- and 3-body terms were fitted separately to the corresponding nb initio many-body energies calculated at the MP 4 level. The study of the 3-body component in different triangle confo rmations reveals that the 3-body forces determine the magnitude of the interaction energy in a relatively large region of distances and angl es. The analysis of exchange and dispersion contributions makes it pos sible to elucidate the nature of binding in the Be-3 cluster.