THE DETAILED BALANCE ENERGY-SCALED DISPLACEMENT MONTE CARLO ALGORITHM

被引：11

作者：

Mezei, M. ^{[1
,2
]}

Bencsath, K. A. ^{[3
]}

Goldman, S. ^{[4
]}

Singh, S. ^{[4
]}

机构：

[1] CUNY, Dept Chem, Hunter Coll, New York, NY 10021 USA

[2] Ctr Study Gene Struct & Funct, New York, NY 10021 USA

[3] Manhattan Coll, Dept Math & Comp Sci, Riverdale, NY 10471 USA

[4] Guelph Waterloo Ctr Grad Work Chem, Guelph, ON N1G 2W1, Canada

来源：

MOLECULAR SIMULATION | 1987年 / 1卷 / 1-2期

基金：

加拿大自然科学与工程研究理事会;

关键词：

Monte Carlo; detailed balance; energy-scaled displacement; Lennard-Jones;

D O I：

10.1080/08927028708080933

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：

The Detailed Balance Energy-scaled Displacement Monte Carlo method that stems from the previously published Energy Scaled Displacement Monte Carlo method is presented. The results of tests performed on a dense Lennard-Jones liquid and on two particles in one dimension are reported.

引用

页码：87 / 93

页数：7

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