On the relationship between the density functional formalism and the potential distribution theory for nonuniform fluids |
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Authors: | A. Robledo C. Varea |
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Affiliation: | (1) División de Estudios de Posgrado, Facultad de Química, Universidad Nacional Autónoma de México, México 20, D.F. |
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Abstract: | It is shown that the variational principle for the grand potential of a nonuniform fluid as a functional of the singlet density yields the potential distribution theory for the equilibrium density. We derive the explicit form that the functional takes for a system of hard rods, and propose an approximate one for hard spheres. Attractive interactions are also considered in mean-field approximation. In all cases the pair direct correlation function of the nonuniform system is obtained and the density gradient expansion of the free energy is investigated. |
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Keywords: | Density functionals potential distribution theory nonuniform fluids |
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