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An analytical representation of the model potential for beryllium trimers

journal contribution
posted on 2023-06-07, 19:48 authored by J Hernandez-Cobos, I G Kaplan, J N Murrell
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.

History

Publication status

  • Published

Journal

Molecular Physics

ISSN

0026-8976

Publisher

Taylor & Francis

Issue

1

Volume

92

Page range

63 - 69

ISBN

0026---8976

Department affiliated with

  • Chemistry Publications

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2012-02-06

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