A novel method for simulating quantum dissipative systems

被引:84
作者
Cao, JS
Ungar, LW
Voth, GA
机构
[1] Department of Chemistry, University of Pennsylvania, Philadelphia
关键词
D O I
10.1063/1.471230
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
An effective and flexible numerical scheme is proposed to simulate the dissipative quantum dynamics of a linearized system-bath Hamiltonian. Based on the observation that the Feynman path integrals for a Gaussian bath have a quadratic functional form, the bath average can be performed by directly sampling paths of the discretized harmonic modes and then propagating the system under the influence of quantum Gaussian force. The algorithm is amenable to all known quantum propagation methods and can thus be flexibly applied to study quantum dissipation in the condensed phase. Nontrivial numerical examples based on the spin-boson and damped quantum oscillator models are presented to demonstrate the application of the new algorithm. (C) 1996 American Institute of Physics.
引用
收藏
页码:4189 / 4197
页数:9
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