An improved symplectic integrator for Nose-Poincare thermostat

被引：114

作者：

Nosé, S ^{[1
]}

机构：

[1] Keio Univ, Fac Sci & Technol, Dept Phys, Kohoku Ku, Yokohama, Kanagawa 2238522, Japan

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2001年 / 70卷 / 01期

关键词：

Nose-Poincare thermostat; Nose-Hoover thermostat; constant temperature molecular dynamics method; symplectic integrator; molecular dynamics simulations;

D O I：

10.1143/JPSJ.70.75

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Simple, completely explicit symplectic integration formula are obtained for the Nose-Poincare thermostat; a Hamiltonian dynamics version of the Nose-Hoover thermostat. The time reversibility holds in each of recursion relations.

引用

页码：75 / 77

页数：3

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