Density-functional theory of inhomogeneous fluids in the canonical ensemble

被引:59
|
作者
White, JA [1 ]
González, A [1 ]
Román, FL [1 ]
Velasco, S [1 ]
机构
[1] Univ Salamanca, Dept Fis Aplicada, Fac Ciencias, E-37008 Salamanca, Spain
关键词
D O I
10.1103/PhysRevLett.84.1220
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a density-functional approach for dealing with inhomogeneous fluids in the canonical ensemble. A general relation is proposed between the free-energy functionals in the canonical and the grand canonical ensembles. The minimization of the canonical-ensemble free-energy functional gives rise to Euler-Lagrange equations which involve averaged Ornstein-Zernike equations of second and third order. The theory is especially appropriate for systems with a small, fixed number of particles. As an example of application we obtain accurate results for the density profile of a hard-sphere fluid in a closed spherical cavity that contains only a few particles.
引用
收藏
页码:1220 / 1223
页数:4
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