Entropy of a model for liquid Ga Contribution due to Friedel oscillations
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10.1016/j.cpc.2010.07.014
Abstract
In terms of an interatomic pair potential possessing a soft repulsive core and the long-range Friedel oscillations we have recently reproduced the anomalous structures and dynamic properties of liquid Ga just above the melting point In this paper evaluating separately for the model and the corresponding repulsive core by numerical simulation and the hard-sphere perturbation theory we investigate the contribution due to the Friedel oscillations to the excess entropy of the model fluid For the two model fluids the density variations of the pair-correlation and residual-multiparticle entropies are also presented (C) 2010 Elsevier BV All rights reserved