Free-energy density functional for hard spheres

Abstract

A free-energy density functional for a system of hard spheres is derived on a semiempirical basis. It is constructed to reproduce the thermodynamics and direct correlation function of a homogeneous fluid and then is tested in two highly inhomogeneous situations: the hard-wall–hard-sphere interface and the hard-sphere solid. The results are very good in both cases, showing that this density-functional model may be used with advantage in the study of the hard-sphere model by itself, or used as a reference system in a perturbative analysis.