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Toward a simple density functional theory of nonuniform solids

Published online by Cambridge University Press:  31 January 2011

James P. Stoessel
James P. Stoessel
Affiliation:
BIOSYM Technologies, Inc., San Diego, California 92121
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Abstract

With analogy to the “highly accurate” summation of cluster diagrams for hard sphere fluids à la Carnahan-Starling, a simple real space free-energy density functional for arbitrary potential systems is proposed, based on a generalization of the second virial coefficient to inhomogeneous systems, which when applied to ordered and amorphous solid hard-sphere systems yields pressures in remarkable agreement with experiment. Possibilities for corrections and extensions toward a simple density functional theory of nonuniform solids are noted.

Type
Articles
Information
Journal of Materials Research , Volume 3 , Issue 2 , April 1988 , pp. 274 - 279
Copyright
Copyright © Materials Research Society 1988

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