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首页> 外文期刊>The Journal of Chemical Physics >Decoherence and quantum-classical dynamics in a dissipative bath
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Decoherence and quantum-classical dynamics in a dissipative bath

机译:耗散浴中的退相干和量子经典动力学

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The dynamics of a mixed quantum-classical system, in which the classical subsystem interacts witha dissipative bath, is investigated. This description of the dynamics will be appropriate if the detailsof the bath dynamics are unimportant but its presence plays an important role in the dissipation ofenergy to the environment. In this dynamical description, which can be simulated employing anensemble of stochastic surface-hopping trajectories, the strength of the dissipation is controlled bya friction coefficient. We show that if decoherence, whose effects are controlled by the bath friction,is sufficiently rapid, the equation of motion can be reduced to a master equation. Thus, decoherenceand the validity of master equation models may be explored as a function of bath friction. We usethis framework to study the mechanism of decoherence in a simple model nonadiabatic chemicalreaction.
机译:研究了经典子系统与耗散浴相互作用的混合量子经典系统的动力学。如果浴池动力学的细节不重要,则此动力学描述将是适当的,但其存在对环境能量的耗散起着重要作用。在此动力学描述中,可以使用随机的表面跳变轨迹进行模拟,耗散的强度由摩擦系数控制。我们表明,如果退相干(其影响由浴摩擦控制)足够快,则运动方程可以简化为主方程。因此,解干性和主方程模型的有效性可以作为浴摩擦的函数进行探索。我们使用此框架来研究非绝热化学反应简单模型中的退相干机理。

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