Algorithms for Brownian dynamics

被引：70

作者：

Ricci, A

Ciccotti, G

机构：

[1] Univ Roma La Sapienza, INFM, I-00185 Rome, Italy

[2] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy

来源：

MOLECULAR PHYSICS | 2003年 / 101卷 / 12期

关键词：

D O I：

10.1080/0026897031000108113

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：

We derive a class of efficient and stable algorithms of Brownian dynamics using a formula, derived by Suzuki, to express time-ordered operators. These algorithms are simpler than those derived by Helfand from Runge-Kutta algorithms and, like Helfand algorithms, can be combined with SHAKE to describe the Brownian dynamics of constrained systems.

引用

页码：1927 / 1931

页数：5

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