Molecular dynamics investigations on a quantum system in a thermostat

Details Molecular dynamics investigations on a quantum system in a thermostat Molecular dynamics investigations on a quantum system in a thermostat

1997-12-16

arxiv.org/abs/cond-mat/9712188v1

Physica A 259 (1998) 49-58

Physics

Condensed Matter

Statistical Mechanics

11 pages, 8 postscript figures, uses 'epsfig.sty'. Submitted to PHYSICA A. More information available at http://obelix.physi

Scientific paper

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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