Quantum Transfer Monte Carlo Method for Finite Temperature Properties and Quantum Molecular Dynamics Method for Dynamical Correlation Functions
Quantum Transfer Monte Carlo Method for Finite Temperature Properties and Quantum Molecular Dynamics Method for Dynamical Correlation Functions
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有限温度性质的量子传递蒙特卡罗方法和动态相关函数的量子分子动力学方法
DOI：
10.1143/jpsj.55.3354
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发表时间：
1986
影响因子：
1.7
通讯作者：
Minoru Takahashi
中科院分区：
文献类型：
--
作者：
M. Imada;Minoru Takahashi
提出并检验了一种量子传递矩阵方法。为了获得有限的温度特性，在对路径积分不进行蒙特卡罗采样的情况下，对轨迹求和进行少量蒙特卡罗采样。介绍了蒙特卡罗抽样中随机标准正交基的方法。这使得研究比精确对角化更大的系统成为可能。该方法的一个优点是与常用的量子蒙特卡罗方法相比，它在路径积分中没有负号困难。提出了一种量子分子动力学方法来研究动力学相关函数。
A quantum transfer matrix method is proposed and examined. To obtain finite temperature properties, a small number of Monte Carlo samples for the trace summation is taken without the Monte Carlo sampling of the path integral. We introduce the method of a random orthonormal base in the Monte Carlo sampling. This makes it possible to investigate larger size systems than the exact diagonalization. An advantage of this method is that it does not have negative sign difficulty in the path integral as contrast to the usual quantum Monte Carlo method. A quantum molecular dynamics method is also proposed to investigate dynamical correlation functions.