Reptation Quantum Monte Carlo: A Method for Unbiased Ground-State Averages and Imaginary-Time Correlations
Reptation Quantum Monte Carlo: A Method for Unbiased Ground-State Averages and Imaginary-Time Correlations
复制标题
蠕动量子蒙特卡罗：一种无偏基态平均值和虚时间相关性的方法
DOI：
10.1103/physrevlett.82.4745
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发表时间：
1999
影响因子：
8.6
通讯作者：
Saverio Moroni
中科院分区：
文献类型：
--
作者：
S. Baroni;Saverio Moroni
介绍一种新的计算量子系统基态性质的随机方法。由试验波函数引导的朗之万随机游走的片段经受对局部能量的时间积分进行的大都会拒绝测试。该算法与玻色子的变分蒙特卡罗算法一样简单，它提供了局部观测值的精确期望值，以及它们的静态和动态（虚时间）响应函数，没有混合估计或种群控制偏差。我们的方法证明了一些情况下的应用程序${}^{4}\mathrm{He}$。
We introduce a new stochastic method for calculating ground-state properties of quantum systems. Segments of a Langevin random walk guided by a trial wave function are subject to a Metropolis rejection test performed on the time integral of the local energy. The algorithm\char22{}which is as simple as variational Monte Carlo\char22{}for bosons provides exact expectation values of local observables, as well as their static and dynamic (in imaginary time) response functions, without mixed-estimate nor population-control biases. Our method is demonstrated with a few case applications to ${}^{4}\mathrm{He}$.