Published July 1, 2003
| Version v1
Journal article
Dissipative quantum dynamics of anharmonic oscillators with the multiconfiguration time-dependent Hartree method
Creators
- 1. Universitaet Heidelberg, Theoretische Chemie, Im Neuenheimer Feld 229 (Germany)
- 2. Universitaet Regensburg, Theoretische Chemie, Universitaetsstr. 31, 93040 Regensburg, (Germany)
Description
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
Additional details
Identifiers
- DOI
- 10.1063/1.1576384;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 119
- Journal Issue
- 1
- Journal Page Range
- p. 24-33
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 35024364
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ANHARMONIC OSCILLATORS; DEGREES OF FREEDOM; DISSIPATION FACTOR; DYNAMICS; TIME DEPENDENCE
- Descriptors DEC
- MECHANICS
Optional Information
- Notes
- (c) 2003 American Institute of Physics.