Molecular dynamics investigations on a quantum system in a thermostat
| Autor(en): | Schnack, J | Stichwörter: | canonical ensemble; ergodic behaviour; fermion system; FORMULATION; Physics; Physics, Multidisciplinary; quantum statistics; thermostat | Erscheinungsdatum: | 1998 | Herausgeber: | ELSEVIER SCIENCE BV | Journal: | PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS | Volumen: | 259 | Ausgabe: | 1-2 | Startseite: | 49 | Seitenende: | 58 | Zusammenfassung: | 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. (C) 1998 Elsevier Science B.V. All rights reserved. |
ISSN: | 03784371 | DOI: | 10.1016/S0378-4371(98)00236-2 |
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