ALTERNATE MONTE-CARLO ALGORITHM APPLIED TO A LENNARD-JONES SOLID

被引：5
|
作者：
DAY, MA [1 ]
HARDY, RJ [1 ]
机构：
[1] UNIV NEBRASKA,DEPT PHYS & ASTRON,LINCOLN,NE 68588
来源：
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1985年 / 46卷 / 04期
关键词：
COMPUTER PROGRAMMING - Algorithms - MATHEMATICAL STATISTICS - Monte Carlo Methods;
D O I：
10.1016/0022-3697(85)90117-9
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Monte Carlo calculations of the thermodynamic properties of a classical nearest neighbor Lennard-Jones solid have been carried out using an alternate to the usual Metropolis algorithm. The new algorithm is particularly convenient for the study of solids. Unbiased estimators are used to obtain values for the properties and their standard deviations. The authors results are combined with recent results of E. R. Cowley to give a set of best estimates.
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页码：487 / 492
页数：6
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