Analytic example of a free energy functional
We use the ideas of Percus for the construction of classical density functionals for two model interactions: simple hard spheres and adhesive hard spheres (AHSs). The required input, the properties of the uniform fluid, is taken from the analytic mean spherical solution for these two systems. For hard spheres we derive-via a bilinear decomposition of the direct correlation functions-a set of basis functions, which is the same as the one presented by Rosenfeld in his fundamental measure theory framework. For AHSs additional basis functions have to be considered to ensure the bilinear decomposition of the direct correlation functions; we present an expression for the free energy functional for the one-component case.
Tutschka
C
Institut fur Theoretische Physik and Center for Computational Materials Science, Technische Universitat Wien, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria.
Kahl
G