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自旋-玻色子动力学中浴缸性质的时间演化。

Time Evolution of Bath Properties in Spin-Boson Dynamics.

机构信息

Department of Chemistry, University of Illinois, Urbana, Illinois 61801, United States.

Department of Physics, University of Illinois, Urbana, Illinois 61801, United States.

出版信息

J Phys Chem B. 2021 Jul 29;125(29):8137-8151. doi: 10.1021/acs.jpcb.1c03861. Epub 2021 Jul 20.

Abstract

The dynamical behaviors of a two-level system (TLS) coupled to a harmonic dissipative bath has been studied extensively using a variety of analytical and numerical methods. The focus of the vast majority of these studies has been on the properties of the TLS, averaged with respect to the bath degrees of freedom. In this work, we use real-time path integral methods to probe the behavior of select bath degrees of freedom during the dynamics of a symmetric two-level system (TLS) coupled to a dissipative bath by calculating system-bath densities (SBD) and coordinate expectation values. Overall, the SBD motion on each diabatic state is simpler than the motion of the total density. In the weak coupling regime, which characterizes the parameters of oscillators that comprise such a bath, the SBD on each TLS state remains primarily compact and Gaussian-like, such that its peak is well characterized by the mode expectation value. In the absence of a dissipative environment, nonadiabatic density depletion leads to spikes in coordinate expectation values. The evolution of the SBD peak trajectory for two discrete modes exhibits Lissajous patterns with frequency-dependent shapes that strongly resemble classical trajectory motion on a torus. These patterns become more complex when the coupling of the mode to the TLS is increased outside of this regime, leading to persistent small amplitude oscillations in the TLS populations characterized by a very slow decay and SBD trajectories that exhibit behaviors reminiscent of chaotic classical systems. Indirect coupling to a dissipative bath has a stabilizing effect on the dynamics, eliminating spikes, synchronizing the SBD motion on the two diabatic states and regularizing the SBD trajectory to simple rectangular Lissajous-like shapes with a slowly shrinking boundary, regardless of the mode frequencies.

摘要

采用各种分析和数值方法广泛研究了与简谐耗散浴耦合的双能级体系(TLS)的动力学行为。这些研究的绝大多数重点是 TLS 的性质,相对于浴自由度进行平均。在这项工作中,我们使用实时路径积分方法通过计算系统-浴密度(SBD)和坐标期望来探测对称双能级系统(TLS)与耗散浴耦合时的部分浴自由度的动力学行为。总体而言,每个非绝热状态的 SBD 运动比总密度的运动更简单。在弱耦合 regime 中,其特征是构成此类浴的振荡器的参数,每个 TLS 状态的 SBD 仍然主要是紧凑的和高斯型的,因此其峰值很好地由模态期望值来表征。在没有耗散环境的情况下,非绝热密度耗散会导致坐标期望值出现尖峰。两个离散模式的 SBD 峰值轨迹的演化表现出具有频率相关形状的 Lissajous 图案,与经典轨迹在环面上的运动非常相似。当模式与 TLS 的耦合在该 regime 之外增加时,这些图案变得更加复杂,导致 TLS 群体中出现持续的小振幅振荡,其特征是非常缓慢的衰减和 SBD 轨迹表现出类似于混沌经典系统的行为。间接耦合到耗散浴对动力学具有稳定作用,消除了尖峰,使两个非绝热状态的 SBD 运动同步,并使 SBD 轨迹正则化为简单的矩形 Lissajous 形状,边界缓慢收缩,无论模式频率如何。

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