Molecular dynamics investigations on a quantum system in a thermostat

J. Schnack

Physica A: Statistical Mechanics and its Applications, 1998, vol. 259, issue 1, 49-58

Abstract: 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.

Keywords: Quantum statistics; Fermion system; Canonical ensemble; Ergodic behaviour; Thermostat (search for similar items in EconPapers)
Date: 1998
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:259:y:1998:i:1:p:49-58

DOI: 10.1016/S0378-4371(98)00236-2

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