Design of quasisymplectic propagators for Langevin dynamics

被引：67
作者：
Melchionna, Simone [1 ]
机构：
[1] Univ Roma La Sapienza, Dept Phys, SOFT, INFM,CNR, I-00185 Rome, Italy
来源：
JOURNAL OF CHEMICAL PHYSICS | 2007年 / 127卷 / 04期
关键词：
D O I：
10.1063/1.2753496
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 vector field splitting approach is discussed for the systematic derivation of numerical propagators for deterministic dynamics. Based on the formalism, a class of numerical integrators for Langevin dynamics are presented for single and multiple time step algorithms. (C) 2007 American Institute of Physics.
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页数：10
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