Molecular dynamics investigations on a quantum system in a thermostat

The model quantum system of fermions in a one-dimensional harmonic oscillator potential is investigated by a molecular dynamics method at constant temperature. Although in quantum mechanics the equipartition theorem cannot be used like in the Nosé–Hoover-thermostat, it is possible to couple an additional degree of freedom to the system which acts as a thermometer and drives the system towards the desired temperature via complex time steps.

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Year of publication:	1998
Authors:	Schnack, J.
Published in:	Physica A: Statistical Mechanics and its Applications. - Elsevier, ISSN 0378-4371. - Vol. 259.1998, 1, p. 49-58
Publisher:	Elsevier
Subject:	Quantum statistics \| Fermion system \| Canonical ensemble \| Ergodic behaviour \| Thermostat

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Type of publication:	Article
Source:	RePEc - Research Papers in Economics

Persistent link: https://www.econbiz.de/10010599619