Published February 15, 2004 | Version v1
Journal article

On the dynamics of coupled Bohmian and phase-space variables: A new hybrid quantum-classical approach

  • 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

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

Optional Information

Notes
(c) 2004 American Institute of Physics.