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

被引:40
作者
Burghardt, I
Parlant, G
机构
[1] Ecole Normale Super, Dept Chim, F-75231 Paris 05, France
[2] Univ Montpellier 2, Lab Struct & Dynam Syst Mol & Solides UMR 5636, F-34095 Montpellier 05, France
关键词
D O I
10.1063/1.1647059
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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. (C) 2004 American Institute of Physics.
引用
收藏
页码:3055 / 3058
页数:4
相关论文
共 28 条
[1]   QUANTUM BACKREACTION ON CLASSICAL VARIABLES [J].
ANDERSON, A .
PHYSICAL REVIEW LETTERS, 1995, 74 (05) :621-625
[2]   APPLICABILITY OF CLASSICAL TRAJECTORY EQUATIONS IN INELASTIC-SCATTERING THEORY [J].
BILLING, GD .
CHEMICAL PHYSICS LETTERS, 1975, 30 (03) :391-393
[3]  
Burghardt I, 2001, J CHEM PHYS, V115, P10312, DOI 10.1063/1.1416494
[4]   Quantum dynamics for dissipative systems: A hydrodynamic perspective [J].
Burghardt, I ;
Moller, KB .
JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (16) :7409-7425
[5]   Hydrodynamic equations for mixed quantum states. I. General formulation [J].
Burghardt, I ;
Cederbaum, LS .
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (22) :10303-10311
[6]  
BURGHARDT I, UNPUB
[7]   Impediments to mixing classical and quantum dynamics [J].
Caro, J ;
Salcedo, LL .
PHYSICAL REVIEW A, 1999, 60 (02) :842-852
[8]   SEMICLASSICAL THEORY OF INELASTIC COLLISIONS .1. CLASSICAL PICTURE AND SEMICLASSICAL FORMULATION [J].
DELOS, JB ;
THORSON, WR ;
KNUDSON, SK .
PHYSICAL REVIEW A, 1972, 6 (02) :709-&
[9]   Simulation of coherent nonadiabatic dynamics using classical trajectories [J].
Donoso, A ;
Martens, CC .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (23) :4291-4300
[10]   Mixing quantum and classical dynamics using Bohmian trajectories [J].
Gindensperger, E ;
Meier, C ;
Beswick, JA .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (21) :9369-9372