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The structure of molten CsAu: ab initio and Monte Carlo study

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Published 22 July 1991 , ,

0953-8984/3/29/014

Abstract

The authors report the results of a Monte Carlo simulation for the structure of the stoichiometric CsAu melt, based on an ab initio quantum mechanical calculation of the interionic potentials, which is an excellent agreement with experiment.

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