输运量子蒙特卡罗方法 diffusion quantum monte carlo
我介绍了一个系统的方法应用贝叶斯统计推论和最大熵来处理量子蒙特卡罗模拟所得到连续虚时间的数据。
We present a systematical way to use Bayesian statistical inference and the maximum entropy to deal with the data obtained by the continue imaginary-time QMC simulations.
在第二章中，简要介绍了常用的计算化学方法，主要包括量子化学方法、分子力学、分子动力学和蒙特卡罗等方法。
In the second chapter, some computational methods including quantum chemistry method, Molecular Mechanics, Molecular Dynamic simulation, Monte Carlo method and so on, were briefly reviewed.
第二章我们介绍了最大熵方法，它可以和量子蒙特卡罗模拟混合使用来研究系统的动力学性质。
In Chapter 2 we introduce the Maximum Entropy Method which can be used in combination with the QMC simulations to study the dynamical properties.
应用推荐