Hyper molecular dynamics with a local bias potential

被引：29

作者：

Gong, XG ^{[1
]}

Wilkins, JW

机构：

[1] Acad Sinica, Inst Solid State Phys, Hefei 230031, Peoples R China

[2] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.59.54

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We propose a local bias potential for the hyper molecular dynamics requiring no preknowledge of the saddle points of system. This has little computational overload and is applicable to real systems. Speedups of one to five orders of magnitude are found in the diffusion of a small cluster on a surface. [S0163-1829(99)08901-8].

引用

页码：54 / 57

页数：4

共 6 条

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