AN IMPROVED KIRKWOOD SUPERPOSITION APPROXIMATION FOR 3 ATOMS IN ROLLING-CONTACT

被引:20
作者
ATTARD, P [1 ]
机构
[1] UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1080/00268979100102411
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
A surprisingly simple ansatz is given which greatly improves the Kirkwood superposition approximation for the three-particle distribution function when two atoms are in contact with a third. This geometry occurs in a number of theories of the liquid state, and is the one for which the Kirkwood approximation is most inaccuate. Results are given for hard sphere and for Lennard-Jones fluids.
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页码:547 / 552
页数:6
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