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Molecular dynamics investigations on a quantum system in a thermostat

J. Schnack
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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 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.

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J. Schnack. 1997-12-16. Molecular dynamics investigations on a quantum system in a thermostat. https://doi.org/10.1016/s0378-4371(98)00236-2

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