Interatomic potentials in condensed matter via the maximum-entropy principle

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Abstract

A general method is described for the calculation of interatomic potentials in condensed-matter systems by use of a maximum-entropy Ansatz for the interatomic correlation functions. The interatomic potentials are given explicitly in terms of statistical correlation functions involving the potential energy and the structure factor of a ̂>reference medium.̂> Illustrations are given for Al-Cu alloys and a model transition metal.

Original languageEnglish
Pages (from-to)1108-1111
Number of pages4
JournalPhysical Review Letters
Volume59
Issue number10
DOIs
StatePublished - 1987

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