Published February 15, 2004
| Version v1
Journal article
On the dynamics of coupled Bohmian and phase-space variables: A new hybrid quantum-classical approach
Creators
- 1. Laboratoire de Structure et Dynamique des Systemes Moleculaires et Solides (UMR 5636), CC 014, Universite Montpellier II, F-34095 Montpellier cedex 05 (France)
- 2. Departement de Chimie, Ecole Normale Superieure, 24 rue Lhomond, F-75231 Paris cedex 05 (France)
Description
A new approach to the coupling of quantum and classical dynamics is developed, by combining a hydrodynamic, Bohmian description for the quantum subsystem with a Liouville-space description for the classical subsystem. To this end, partial hydrodynamic moments are introduced, the dynamics of which is determined by a hierarchy of equations derived from the quantum Liouville equation. We focus on pure states (wave functions) and introduce a trajectory representation in a hybrid hydrodynamic-Liouvillian phase space. The interleaved trajectory dynamics is guided by a new type of quantum force. For illustration, we consider a pair of bilinearly coupled harmonic oscillators, for which the method is exact
Additional details
Identifiers
- DOI
- 10.1063/1.1647059;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 120
- Journal Issue
- 7
- Journal Page Range
- p. 3055-3058
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 35094798
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- BOLTZMANN-VLASOV EQUATION; CLASSICAL MECHANICS; COUPLING; HARMONIC OSCILLATORS; HYBRIDIZATION; HYDRODYNAMICS; PHASE SPACE; TRAJECTORIES; WAVE FUNCTIONS
- Descriptors DEC
- DIFFERENTIAL EQUATIONS; EQUATIONS; FLUID MECHANICS; FUNCTIONS; MATHEMATICAL SPACE; MECHANICS; PARTIAL DIFFERENTIAL EQUATIONS; SPACE
Optional Information
- Notes
- (c) 2004 American Institute of Physics.