Fundamental measure theory of inhomogeneous two-body correlation functions

Abstract

For the three-dimensional hard-sphere model we investigate the inhomogeneous two-body correlations predicted by Rosenfeld's fundamental measure theory. For the special cases in which the density has either planar or spherical symmetry we provide analytic formulae for the Hankel and Legendre transforms, respectively, of the inhomogeneous two-body direct correlation function as explicit functionals of the density. When combined with the Ornstein-Zernike relation our analytical results allow for rapid calculation of inhomogeneous hard-sphere density correlations in real-space. These provide not only information about the packing structures of the hard-sphere system, but also form an essential building-block for constructing perturbation theories of more realistic models.

References in corpus (1)

• Structural precursor to freezing: An integral equation study

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