A NOVEL METHOD FOR SIMULATING QUANTUM DISSIPATIVE SYSTEMS

Citation
Js. Cao et al., A NOVEL METHOD FOR SIMULATING QUANTUM DISSIPATIVE SYSTEMS, The Journal of chemical physics, 104(11), 1996, pp. 4189-4197
Citations number
52
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
104
Issue
11
Year of publication
1996
Pages
4189 - 4197
Database
ISI
SICI code
0021-9606(1996)104:11<4189:ANMFSQ>2.0.ZU;2-V
Abstract
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 Gaussi an bath have a quadratic functional form, the bath average can be perf ormed by directly sampling paths of the discretized harmonic modes and then propagating the system under the influence of quantum Gaussian f orce. The algorithm is amenable to all known quantum propagation metho ds and can thus be flexibly applied to study quantum dissipation in th e condensed phase. Nontrivial numerical examples based on the spin-bos on and damped quantum oscillator models are presented to demonstrate t he application of the new algorithm. (C) 1996 American Institute of Ph ysics.