Weighted-density-functional approach to the structure of nonuniform fluids

被引:3
|
作者
Patra, CN [1 ]
Ghosh, SK [1 ]
机构
[1] Bhabha Atom Res Ctr, Chem Grp, RC & CD div, Theoret Chem Sect, Bombay 400085, Maharashtra, India
来源
JOURNAL OF CHEMICAL PHYSICS | 2003年 / 118卷 / 18期
关键词
D O I
10.1063/1.1565326
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The structure of simple nonuniform fluids is studied using a new weighted-density-functional approach based on the concept of universality of the free energy density functional and an assumption of a local dependence of its functional derivative on the weighted density. The theory uses as input the second-order direct correlation function and the radial distribution function of the corresponding uniform fluid which are obtained here from the integral equation theory with an accurate closure relation. The calculated numerical results on the density profiles of several confined inhomogeneous fluids are shown to compare quite well with the available simulation data. (C) 2003 American Institute of Physics.
引用
收藏
页码:8326 / 8330
页数:5
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