A Simple Solution to Trivial Crossings: A Stochastic State Tracking Approach

A Simple Solution to Trivial Crossings: A Stochastic State Tracking Approach
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平凡交叉的简单解决方案:随机状态跟踪方法

DOI:
10.1021/acs.jpclett.0c03428
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发表时间:
2021
期刊:
The Journal of Physical Chemistry Letters
影响因子:
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通讯作者:
Akimov, Alexey V.
Akimov, Alexey V.
中科院分区:
--
文献类型:
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作者:
Temen, Story;Akimov, Alexey V.

文献摘要

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我们提出了一种新的基于随机状态重分配的状态跟踪算法,该算法反映了状态时间重叠的量子力学解释。我们用一系列模型哈密顿量来评估新方法,并证明它产生的结果与确定性最小代价算法基本一致。然而,随机状态跟踪算法在量子系统向其平衡演化时减小了状态种群波动的幅度。该算法促进了量子态居群的热化,抑制了多态系统中居群的恢复和平衡附近的振荡。新的随机算法具有良好的计算尺度,由于其概念透明性而易于实现,并且平等地对待各种类型的状态恒等式变化(琐碎或避免交叉以及任何中间情况)。
We present a new state tracking algorithm based on a stochastic state reassignment that reflects the quantum mechanical interpretation of the state time-overlaps. We assess the new method with a range of model Hamiltonians and demonstrate that it yields the results generally consistent with the deterministic min-cost algorithm. However, the stochastic state tracking algorithm reduces magnitudes of the state population fluctuations as the quantum system evolves toward its equilibrium. The new algorithm facilitates the thermalization of quantum state populations and suppresses the population revivals and oscillations near the equilibrium in many-state systems. The new stochastic algorithm has a favorable computational scaling, is easy to implement due to its conceptual transparency, and treats various types of state identity changes (trivial or avoided crossings and any intermediate cases) on equal footing.