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Three-body hypernetted-chain equation and its numerical solution.

Authors :
Kim, Kang
Munakata, Toyonori
Source :
Journal of Chemical Physics; 7/1/2002, Vol. 117 Issue 1, p277, 5p, 6 Graphs
Publication Year :
2002

Abstract

The HNC (hypemetted-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 OrnsteinZemike 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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
117
Issue :
1
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
6831307
Full Text :
https://doi.org/10.1063/1.1482704