Kinetic moments method for the canonical ensemble distribution

Kinetic moments method for the canonical ensemble distribution

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 Nosé-Hoover approach to thermostatting is the simplest time-reversible scheme to exhibit ergod...

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Bibliographic Details
Published in:Physics letters. A Vol. 211; no. 5; pp. 253 - 257
Main Authors: Hoover, William G., Holian, Brad Lee
Format: Journal Article
Language:English
Published: Elsevier B.V 26-02-1996
Online Access:Get full text
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Summary: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 Nosé-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.
ISSN:0375-9601
1873-2429
DOI:10.1016/0375-9601(95)00973-6