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首页> 外文期刊>International Journal of Quantum Chemistry >Quantum-classical transition of the dissipative wave packet dynamics for barrier scattering
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Quantum-classical transition of the dissipative wave packet dynamics for barrier scattering

机译:耗散波分组动力学对屏障散射的量子古典转变

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摘要

A nonlinear equation based on the Schrodinger-Langevin equation is employed to analyze the quantum-classical transition of dissipative systems for wave packet barrier scattering. The transition equation is obtained by subtracting a modified quantum potential term depending on a degree of quantumness in the Schrodinger-Langevin equation, and it provides a continuous description for the transition process of dissipative systems from purely quantum to purely classical regimes. Important properties possessed by the equation are derived. The energy dissipation rate of the dissipative system does not depend on the degree of quantumness. It is shown that the equations of motion for the expectation values of the position and momentum operators for dissipative systems hold for all the degree of quantumness. This feature establishes the correspondence between classical and quantum dissipative systems. Computational results for the transition process of dissipative wave packet dynamics and transition trajectories are presented and analyzed for model systems involving the propagation of a free Gaussian wave packet and the wave packet scattering from an Eckart barrier. Computational results demonstrate that the agreement between the classical-limit transition trajectories and classical trajectories is excellent, except in some regions. The single-valued transition wave function implies that transition trajectories cannot pass through the same configuration space point at the same time.
机译:采用基于Schrodinger-Langevin方程的非线性方程来分析波包屏障散射的耗散系统的量子古典转变。通过减去修改的量子电位术语根据Schrodinger-Langevin等式中的量子度的程度来获得转换方程,并且它为诸如纯量子的耗散系统的过渡过程提供了一种连续描述,从纯量子到纯粹的典型制度。等式所具有的重要属性是推导的。耗散系统的能量耗散率不依赖于量子度的程度。结果表明,用于耗散系统的位置和动量运营商的期望值的运动方程保持所有量子度。该特征在经典和量子耗散系统之间建立了对应关系。呈现和分析了涉及自由高斯波分组的传播的模型系统和从EckAtt屏障散射的模型系统的模型系统给出和分析了耗散波分组动力学和转换轨迹的转换过程。计算结果表明,除了一些地区之外,经典限位过渡轨迹和古典轨迹之间的协议非常出色。单值的转换波函数意味着转换轨迹同时不能通过相同的配置空间点。

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