PERTURBATION WEIGHTED-DENSITY APPROXIMATION - THE PHASE-DIAGRAM OF A LENNARD-JONES SYSTEM

被引：48

作者：

MEDEROS, L ^{[1
]}

NAVASCUES, G ^{[1
]}

TARAZONA, P ^{[1
]}

CHACON, E ^{[1
]}

机构：

[1] UNIV AUTONOMA MADRID,DEPT FIS MAT CONDENSADA CXII,E-28049 MADRID,SPAIN

来源：

PHYSICAL REVIEW E | 1993年 / 47卷 / 06期

关键词：

D O I：

10.1103/PhysRevE.47.4284

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

We present a density-functional approach for the Helmholtz free energy of simple liquids, based on the separation of attractive and repulsive interactions and within the framework of the weighted-density approximations. The approach reduces to the standard perturbation theory of simple fluids for the homogeneous vapor and liquid phases. It gives a good description of the correlation structure in the crystal, based on a local-compressibility equation. The phase diagram of a Lennard-Jones system is obtained and compared with a computer simulation.

引用

页码：4284 / 4288

页数：5

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