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On the Choice of a Maximal Cluster in the Cluster Variational Method

Published online by Cambridge University Press:  01 January 1992

David A. Vul  and
Didier de Fontaine
David A. Vul
Affiliation:
Department of Materials Science and Mineral Engineering, University of California, Berkeley, CA 94720
Didier de Fontaine
Affiliation:
Department of Materials Science and Mineral Engineering, University of California, Berkeley, CA 94720 Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720
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Abstract

An explanation of the occurrence of unphysical solutions in the cluster variational method is given. A simple algorithm for the construction of an optimal maximal cluster, i.e., a cluster that guarantees correct results for any set of interatomic interactions, is suggested. Examples of optimal maximal clusters for various two- and three-dimensional lattices are presented.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 401
Copyright
Copyright © Materials Research Society 1993

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References

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