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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 Nose-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.

preprint1997arXivOpen access
J. Schnack
cond-mat.stat-mech
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