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量子克莱默斯方程及势垒穿越动力学的研究方法。

Approach to quantum Kramers' equation and barrier crossing dynamics.

作者信息

Banerjee Dhruba, Bag Bidhan Chandra, Banik Suman Kumar, Ray Deb Shankar

机构信息

Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032, India.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Feb;65(2 Pt 1):021109. doi: 10.1103/PhysRevE.65.021109. Epub 2002 Jan 23.

Abstract

We have presented a simple approach to quantum theory of Brownian motion and barrier crossing dynamics. Based on an initial coherent state representation of bath oscillators and an equilibrium canonical distribution of quantum-mechanical mean values of their co-ordinates and momenta we have derived a c number generalized quantum Langevin equation. The approach allows us to implement the method of classical non-Markovian Brownian motion to realize an exact generalized non-Markovian quantum Kramers' equation. The equation is valid for arbitrary temperature and friction. We have solved this equation in the spatial diffusion-limited regime to derive quantum Kramers' rate of barrier crossing and analyze its variation as a function of the temperature and friction. While almost all the earlier theories rest on quasiprobability distribution functions (e.g., Wigner function) and path integral methods, the present work is based on true probability distribution functions and is independent of path integral techniques. The theory is a natural extension of the classical theory to quantum domain and provides a unified description of thermally activated processes and tunneling.

摘要

我们提出了一种研究布朗运动和势垒穿越动力学量子理论的简单方法。基于浴振子的初始相干态表示以及它们坐标和动量的量子力学平均值的平衡正则分布,我们推导出了一个 c 数广义量子朗之万方程。该方法使我们能够运用经典非马尔可夫布朗运动的方法来实现精确的广义非马尔可夫量子克莱默斯方程。该方程对任意温度和摩擦力均有效。我们在空间扩散受限的情况下求解了此方程,以推导量子克莱默斯势垒穿越速率,并分析其随温度和摩擦力的变化。几乎所有早期理论都基于准概率分布函数(例如维格纳函数)和路径积分方法,而目前的工作基于真实概率分布函数,并且独立于路径积分技术。该理论是经典理论到量子领域的自然扩展,为热激活过程和隧穿提供了统一描述。

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