Comparison of weighted-density-functional theories for inhomogeneous liquids

D. M. Kroll and Brian B. Laird
Phys. Rev. A 42, 4806 – Published 1 October 1990
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Abstract

Three recent weighted-density-functional (WDF) theories are critically examined in terms of their ability to describe correctly the structure of a hard-sphere fluid at a hard wall. A new derivation of the Curtin-Ashcroft WDF theory is given that clarifies the basic approximations behind this formulation and brings out the close relationship between their work and the WDF theories of Meister-Kroll and Groot–van der Eerden. The condition that the second functional derivative of the approximate Helmholtz free-energy functional yields the correct two-particle direct-correlation function in the homogeneous limit is found to be of crucial importance in determining good liquid structures.

  • Received 22 May 1990

DOI:https://doi.org/10.1103/PhysRevA.42.4806

©1990 American Physical Society

Authors & Affiliations

D. M. Kroll and Brian B. Laird

  • Institut für Festkörperforschung des Forschungszentrums Jülich, Postfach 1913, 5170 Jülich, West Germany

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Issue

Vol. 42, Iss. 8 — October 1990

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