PERTURBATION-THEORY APPLIED TO THE FREEZING OF CLASSICAL-SYSTEMS

被引:27
作者
MEDEROS, L [1 ]
NAVASCUES, G [1 ]
TARAZONA, P [1 ]
机构
[1] UNIV AUTONOMA MADRID, DEPT FIS MAT CONDENSADA CXII, E-28049 MADRID, SPAIN
来源
PHYSICAL REVIEW E | 1994年 / 49卷 / 03期
关键词
D O I
10.1103/PhysRevE.49.2161
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 analyze the density-functional perturbation theory for simple classical systems and in particular the application of the perturbation-weighted density approximation to the study of the solid-fluid coexistence. The main assumptions of the approximation are discussed to clarify the dependence of the results with the partition of the intermolecular potential into repulsive and attractive contributions. A simplified version of the theory is presented and the results for the phase diagram of a Lennard-Jones system are compared with other theories and computer simulations.
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页码:2161 / 2166
页数:6
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