On the Choice of a Maximal Cluster in the Cluster Variational Method
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ABSTRACTAn 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.
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1991 ◽
Vol 38
(5)
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pp. 490-501
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2021 ◽
Vol ahead-of-print
(ahead-of-print)
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