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

被引:51
作者
Cuesta, JA
Martínez-Ratón, Y
Tarazona, P
机构
[1] Univ Carlos III Madrid, Dept Matemat, Grp Interdisciplinar Sistemas Complicados, E-28911 Madrid, Spain
[2] Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, E-28049 Madrid, Spain
关键词
D O I
10.1088/0953-8984/14/46/307
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
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 (ID) limit. Numerical results for planar wall-fluid interfaces and for the I D fluid are presented.
引用
收藏
页码:11965 / 11980
页数:16
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