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- Title
Dynamics of coupled Bohmian and phase-space variables: a moment approach to mixed quantum-classical dynamics.
- Authors
Burghardt, Irene
- Abstract
The theoretical framework of the mixed quantum-classical description given by Burghardt and Parlant [J. Chem. Phys. 120, 3055 (2004)] is detailed. A representation in terms of partial hydrodynamic moments is developed, the dynamics of which is determined by a hierarchy of equations derived from the quantum Liouville equation. Exact equations of motion are obtained, whose quantum-classical approximants are associated with a fluid-dynamical trajectory representation which couples classical variables to quantum hydrodynamic variables. The latter evolve under a generalized hydrodynamic force which also depends upon the classical phase-space variables. The hydrodynamic moment description is shown to be closely connected to mixed quantum-classical phase-space methods.
- Publication
The Journal of chemical physics, 2005, Vol 122, Issue 9, p094103
- ISSN
0021-9606
- Publication type
Journal Article
- DOI
10.1063/1.1856462