CONVERGENCE PROPERTIES OF MONTE CARLO SIMULATIONS ON FLUIDS

被引：4

作者：

Kolafa, Jiri ^{[1
]}

机构：

[1] Acad Sci Czech Republ, Inst Chem Proc Fundamentals, CR-16502 Prague 6, Suchdol, Czech Republic

来源：

MOLECULAR SIMULATION | 1991年 / 6卷 / 1-3期

关键词：

fluid; dynamic Monte Carlo; correlation length; error estimation; measurement optimization;

D O I：

10.1080/08927029108022140

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：

Convergence properties of standard Monte Carlo simulations for various fluid systems are studied both theoretically and experimentally. It turns out that pseudo-dynamic behaviour found for homogeneous fluids with periodic boundary conditions differs substantially from that for fluids at interfaces and for other inhomogeneous, anisotropic or less than three-dimensional systems. The results are applied to the problems of error estimation and the optimum frequency of measurement of the quantities.

引用

页码：89 / 101

页数：13

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