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DPG

Bonn 2000 – scientific programme

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A: Atomphysik

A 8: Theorie Semi–Klassik

A 8.6: Talk

Tuesday, April 4, 2000, 15:15–15:30, HS IV

Molecular dynamics investigations on a quantum system in a thermostat — •J. Schnack — Universität Osnabrück, Fachbereich Physik, 49069 Osnabrück

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. J. Schnack, Physica A 259 (1998) 49

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