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首页> 外文期刊>The Journal of Chemical Physics >Quantum time correlation functions from complex time Monte Carlo simulations:A maximum entropy approach
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Quantum time correlation functions from complex time Monte Carlo simulations:A maximum entropy approach

机译:复杂时间蒙特卡洛模拟的量子时间相关函数:最大熵方法

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摘要

We present a way of combining real-time path integral Monte Carlo simulations with a maximum entropy numerical analytic continuation scheme in a new approach for calculating time correlation functions for finite temperature many body quantum systems. the real-time dynamics is expressed in the form of the symmetrized time correlation function, which is suitable for Monte Carlo methods, and several simulation techniques are presented for evaluating this function accurately up to moderate values of time. The symmetrized time correlation function is then analytically continued in combination with imaginary time data to obtain the real-time correlation function. We test this approach on several exactly solvable problems, including two one-dimensional systems, as well two cases of vibrational relaxation of a system coupled to a dissipative environment. The computed time correlation functions are in good agreement with exact results over several multiples of the thermal time {31i, and exhibit a significant improvement over analytic continuation of imaginary time correlation functions. Moreover, we show how the method can be systematically improved.
机译:我们提出了一种将实时路径积分蒙特卡罗模拟与最大熵数值解析连续方案相结合的方法,该方法是一种用于计算有限温度多体量子系统的时间相关函数的新方法。实时动态以对称时间相关函数的形式表示,适用于蒙特卡洛方法,并提供了几种仿真技术来精确评估该函数,直至达到适度的时间值。然后,将对称时间相关函数与虚假时间数据结合起来进行分析性连续,以获得实时相关函数。我们在几个可以完全解决的问题上测试了这种方法,其中包括两个一维系统以及耦合到耗散环境的系统的振动弛豫的两种情况。所计算的时间相关函数与热时间{31i的多个倍数}上的精确结果高度吻合,并且相对于假想时间相关函数的解析连续性表现出显着改进。此外,我们展示了如何系统地改进该方法。

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