ON THE SAMPLING METHOD FOR GRAND-CANONICAL MONTE-CARLO SIMULATIONS

被引：0
|
作者：
CRACKNELL, RF
机构：
[1] Department of Chemistry, Imperial College of Science, Technology and Medicine
来源：
MOLECULAR SIMULATION | 1994年 / 13卷 / 03期
关键词：
GRAND CANONICAL MONTE-CARLO; MODIFIED BARKER SAMPLING; LENNARD-JONES FLUID;
D O I：
10.1080/08927029408021987
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 bulk Lennard-Jones fluid was simulated using the grand canonical Monte Carlo method. Three different sampling methods were used in the transition matrix, namely the Metropolis, Barker and a third novel method. While it can be shown that the Metropolis method will give the most accurate ensemble averages in the limit of an infinitely long run, the new method termed ''Modified Barker Sampling'' (MBS), is shown to be superior for the runs of practical length for the particular system studied.
引用
收藏
页码：235 / 240
页数：6
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