A CONFIGURATION BIAS MONTE-CARLO METHOD FOR IONIC-SOLUTIONS

被引：17

作者：

SHELLEY, JC

PATEY, GN

机构：

[1] Department of Chemistry, University of British Columbia, Vancouver

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 11期

关键词：

D O I：

10.1063/1.466770

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 version of configuration bias Monte Carlo suitable for the insertion and deletion of ions in grand canonical Monte Carlo simulations of ionic solutions has been developed. The method has been optimized and applied to a system where the straightforward insertion and deletion of ions is prohibitively impractical. The present approach is likely to be useful in other systems as well.

引用

页码：8265 / 8270

页数：6

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