Quantum hydrodynamics: Mixed states, dissipation, and a new hybrid quantum-classical approach
Corresponding Author
Irene Burghardt
Département de Chimie, Ecole Normale Supérieure, 24 rue Lhomond, F-75231 Paris cedex 05, France
Département de Chimie, Ecole Normale Supérieure, 24 rue Lhomond, F-75231 Paris cedex 05, FranceSearch for more papers by this authorKlaus B. Møller
Department of Chemistry, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark
Search for more papers by this authorGérard Parlant
Laboratoire de Structure et Dynamique des Systèmes Moléculaires et Solides, Université Montpellier II, F-34095 Montpellier, France
Search for more papers by this authorLorenz S. Cederbaum
Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany
Search for more papers by this authorEric R. Bittner
Department of Chemistry, University of Houston, Houston, Texas 77204, USA
Search for more papers by this authorCorresponding Author
Irene Burghardt
Département de Chimie, Ecole Normale Supérieure, 24 rue Lhomond, F-75231 Paris cedex 05, France
Département de Chimie, Ecole Normale Supérieure, 24 rue Lhomond, F-75231 Paris cedex 05, FranceSearch for more papers by this authorKlaus B. Møller
Department of Chemistry, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark
Search for more papers by this authorGérard Parlant
Laboratoire de Structure et Dynamique des Systèmes Moléculaires et Solides, Université Montpellier II, F-34095 Montpellier, France
Search for more papers by this authorLorenz S. Cederbaum
Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany
Search for more papers by this authorEric R. Bittner
Department of Chemistry, University of Houston, Houston, Texas 77204, USA
Search for more papers by this authorAbstract
The formulation of quantum hydrodynamics for mixed states provides a complement, in a quantum-statistical context, to its pure-state “Bohmian mechanics” analogue. We summarize our recent work in this area, focusing on two key aspects. We first describe the formulation of a generalized hydrodynamic force, which includes the effects of thermal fluctuations and “quantum fluctuations” and thus determines the time evolution under the influence of dissipation. Second, we introduce a mixed hydrodynamic–Liouville space representation in terms of partial moments, as applied in the context of coupled electronic states and mixed quantum-classical dynamics. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
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