DENSITY-FUNCTIONAL APPROACH TO 2-DIMENSIONAL CLASSICAL FLUIDS

被引：9

作者：

TAKAMIYA, M

NAKANISHI, K

机构：

[1] Division of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto

来源：

MOLECULAR PHYSICS | 1990年 / 70卷 / 05期

关键词：

D O I：

10.1080/00268979000101341

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 density-functional (DF) method is combined with the smoothed-density approximation to calculate the fluid structure in two-dimensional (2D) hard-disc (HD) systems. Density-dependent weighting functions in the DF method proposed by Tarazona for three-dimensional fluids have been applied to 2D systems for the calculation of the radial distribution function of HD fluids and the determination of the static structure of 2D HD fluids around the central hard triatomic molecule. The results compare reasonably well with Monte Carlo data. The radial distribution of a 2D Lennard-Jones fluid has also been calculated and shown to be in satisfactory agreement with Monte Carlo data except for the high-density fluid. © 1990 Taylor & Francis Ltd.

引用

页码：767 / 781

页数：15

共 15 条

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