Kinetic moments method for the canonical ensemble distribution

被引：186

作者：

Hoover, WG

Holian, BL

机构：

[1] LOS ALAMOS NATL LAB, DIV THEORET, LOS ALAMOS, NM 87545 USA

[2] LAWRENCE LIVERMORE NATL LAB, DEPT PHYS, LIVERMORE, CA 94551 USA

来源：

PHYSICS LETTERS A | 1996年 / 211卷 / 05期

关键词：

D O I：

10.1016/0375-9601(95)00973-6

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Simultaneous integral control of the kinetic energy (K) and its fluctuation [K-2] - [K](2) gives an extended phase-space distribution consistent with Gibbs' canonical one. This generalization of the Nose-Hoover approach to thermostatting is the simplest time-reversible scheme to exhibit ergodicity for the one-dimensional harmonic oscillator. It is also applicable to equilibrium and nonequilibrium many-body simulations.

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页码：253 / 257

页数：5

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