Toward a simple density functional theory of nonuniform solids

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.