Three-body hypernetted-chain equation and its numerical solution

被引：2

作者：

Kim, K ^{[1
]}

Munakata, T ^{[1
]}

机构：

[1] Kyoto Univ, Grad Sch Informat, Dept Appl Math & Phys, Kyoto 6068501, Japan

来源：

JOURNAL OF CHEMICAL PHYSICS | 2002年 / 117卷 / 01期

关键词：

D O I：

10.1063/1.1482704

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 HNC (hypernetted-chain) equation is generalized at a three-body level based on the three-body density functional theory and the Percus' idea. Supplementing with the generalized Ornstein-Zernike relations, we derive the three-body HNC theory for two- and three-body correlation functions. We solved the three-body HNC theory numerically for the case of a one-dimensional fluid and obtained the solution self-consistently. Our results are compared with the (two-body) HNC theory and molecular dynamics simulations. It is found that the three-body HNC theory improves the HNC one from the viewpoint of the radial distribution function. (C) 2002 American Institute of Physics.

引用

页码：277 / 281

页数：5

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