LENNARD-JONES BRIDGE FUNCTIONS AND TRIPLET CORRELATION-FUNCTIONS

被引：43

作者：

ATTARD, P ^{[1
]}

机构：

[1] UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Z1,BC,CANADA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 95卷 / 06期

关键词：

D O I：

10.1063/1.461770

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：

Bridge functions and triplet potentials of mean force are calculated for the Lennard-Jones fluid using the binodal chain closure approximation. Inclusion of the former in the hypernetted-chain closure for the pair correlation functions leads to substantially improved values for the virial pressure. The triplet function also appears reliable, being in reasonable agreement with the solution to the spherically inhomogeneous Ornstein-Zernike equation.

引用

页码：4471 / 4480

页数：10

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