Symplectic integration methods in molecular and spin dynamics simulations

被引：19

作者：

Tsai, SH ^{[1
]}

Krech, M

Landau, DP

机构：

[1] Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA

[2] Univ Georgia, Enterprise Informat Technol Serv, Athens, GA 30602 USA

[3] Max Planck Inst Met Res, D-70569 Stuttgart, Germany

来源：

BRAZILIAN JOURNAL OF PHYSICS | 2004年 / 34卷 / 2A期

关键词：

D O I：

10.1590/S0103-97332004000300009

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We review recently developed decomposition algorithms for molecular dynamics and spin dynamics simulations of many-body systems. These methods are time reversible, symplectic, and the error in the total energy thus generated is bounded. In general, these techniques are accurate for much larger time steps than more standard integration methods. Illustrations of decomposition algorithms performance are shown for spin dynamics simulations of a Heisenberg ferromagnet.

引用

页码：384 / 391

页数：8

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