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Titolo:
Nose-Hoover dynamics for coherent states
Autore:
Mentrup, D; Schnack, J;
Indirizzi:
Univ Osnabruck, Fachbereich Phys, D-49069 Osnabruck, Germany Univ Osnabruck Osnabruck Germany D-49069 hys, D-49069 Osnabruck, Germany
Titolo Testata:
PHYSICA A
fascicolo: 3-4, volume: 297, anno: 2001,
pagine: 337 - 347
SICI:
0378-4371(20010815)297:3-4<337:NDFCS>2.0.ZU;2-W
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR-DYNAMICS; AVERAGES; SYSTEMS;
Keywords:
quantum statistics; canonical ensemble; ergodic behaviour; thermostat; mixed quantum classical system;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
13
Recensione:
Indirizzi per estratti:
Indirizzo: Schnack, J Univ Osnabruck, Fachbereich Phys, Barbarastr 7, D-49069 Osnabruck, Germany Univ Osnabruck Barbarastr 7 Osnabruck Germany D-49069 Germany
Citazione:
D. Mentrup e J. Schnack, "Nose-Hoover dynamics for coherent states", PHYSICA A, 297(3-4), 2001, pp. 337-347

Abstract

The popular method of Nose and Hoover to create canonically distributed positions and momenta in classical molecular dynamics simulations is generalized to a genuine quantum system of infinite dimensionality. We show that for the quantum harmonic oscillator, the equations of motion in terms of coherent states can easily be modified in an analogous manner to mimic the coupling of the system to a thermal bath and create a quantum canonical ensemble. Possible applications to more complex systems, especially interacting Fermion systems, are proposed. (C) 2001 Elsevier Science B.V. All rights reserved.

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Documento generato il 22/10/20 alle ore 08:46:51