Nose-Hoover dynamics in a shaker

被引:3
|
作者
Faou, E [1 ]
机构
[1] INRIA Rennes, F-35042 Rennes, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2006年 / 124卷 / 18期
关键词
D O I
10.1063/1.2194545
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 introduce a new class of systems based on the Nose-Hoover equations. We show that we can add time-dependent terms without destroying the measure and energy conservation properties of the initial system. These "shakers" are typically pseudoperiodic in time, i.e., depend on a collection of harmonic oscillators. We show by numerical examples that it strengthens the sampling properties of the initial system with respect to the Gibbs measure and helps the computation of averages in the canonical ensemble. (c) 2006 American Institute of Physics.
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页数:6
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