Nest, Mathias and Meyer, Hans-Dieter (2003) Dissipative quantum dynamics of anharmonic oscillators with the multiconfiguration time-dependent Hartree method. JOURNAL OF CHEMICAL PHYSICS, 119 (1). pp. 24-33. ISSN 0021-9606, 1089-7690
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We investigate the dissipative dynamics of a Morse oscillator coupled nonlinearly to a heat bath. To this end, we compare several reduced equations of motion with the dynamics of a full-dimensional wave packet with up to 61 spatial degrees of freedom. The discretized bath is converged for the relevant times considered in this paper. The propagations are done with a general purpose implementation of the multiconfiguration time-dependent Hartree method. (C) 2003 American Institute of Physics.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | PHASE-SPACE; PROPAGATING WAVEPACKETS; DENSITY OPERATORS; INTEGRAL APPROACH; MASTER-EQUATIONS; MORSE OSCILLATOR; SYSTEMS; RELAXATION; MODEL; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 10 Aug 2021 13:42 |
| Last Modified: | 10 Aug 2021 13:42 |
| URI: | https://pred.uni-regensburg.de/id/eprint/38863 |
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