Hernandez-Cobos, J, Kaplan, I G and Murrell, J N (1997) An analytical representation of the model potential for beryllium trimers. Molecular Physics, 92 (1). 63 - 69. ISSN 0026-8976

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Abstract

A 2- and 3-body model potential for the Be3 cluster has been constructed. The parameters of the 2- and 3-body terms were fitted separately to the corresponding ab initio many-body energies calculated at the MP4 level. The study of the 3-body component in different triangle conformations reveals that the 3-body forces determine the magnitude of the interaction energy in a relatively large region of distances and angles. The analysis of exchange and dispersion contributions makes it possible to elucidate the nature of binding in the Be3 cluster.

Item Type:	Article
Schools and Departments:	School of Life Sciences > Chemistry
Depositing User:	EPrints Services
Date Deposited:	06 Feb 2012 18:23
Last Modified:	14 Sep 2012 09:02
URI:	http://sro.sussex.ac.uk/id/eprint/16071

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