Fifth to eleventh virial coefficients of hard spheres

被引:44
作者
Schultz, Andrew J. [1 ]
Kofke, David A. [1 ]
机构
[1] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA
基金
美国国家科学基金会;
关键词
EQUATION-OF-STATE; STATISTICAL-MECHANICS; SURFACE PHENOMENA; CLUSTER-EXPANSION; WATER; FLUID; 4TH;
D O I
10.1103/PhysRevE.90.023301
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
Virial coefficients B-n of three-dimensional hard spheres are reported for n = 5 to 11, with precision exceeding that presently available in the literature. Calculations are performed using the recursive method due to Wheatley, and a binning approach is proposed to allow more flexibility in where computational effort is directed in the calculations. We highlight the difficulty as a general measure that quantifies performance of an algorithm that computes a stochastic average and show how it can be used as the basis for optimizing such calculations.
引用
收藏
页数:14
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