Close to the edge of fundamental measure theory: a density functional for hard-sphere mixtures

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Published 8 November 2002 Published under licence by IOP Publishing Ltd
, , Citation José A Cuesta et al 2002 J. Phys.: Condens. Matter 14 11965 DOI 10.1088/0953-8984/14/46/307

0953-8984/14/46/11965

Abstract

We analyse the structure of the fundamental measure theory for the free energy density functional of hard-sphere mixtures. A comparative study of the different versions of the theory, and other density functional approaches, is carried out in terms of their generic form for the three-point direct correlation function, which shows clearly the main advantages and problems of the different approximations. A recently developed version for the monocomponent case is extended to mixtures of hard spheres with different radii, and a new prescription is presented for obtaining the exact dimensional crossover of those mixtures in the one-dimensional (1D) limit. Numerical results for planar wall–fluid interfaces and for the 1D fluid are presented.

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10.1088/0953-8984/14/46/307