$i$ QIST:一个开源的连续时间量子蒙特卡罗杂质求解工具包
$i$QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit
摘要:
量子杂质求解器在强关联电子系统的理论研究中有着广泛的应用。特别是,它们在相关晶格模型和实际材料的动力学平均场论计算中起着关键作用。因此,开发和实现高效的量子杂质求解器是一项重要的任务。在本文中,我们提出了一个开源的相互作用量子杂质求解工具包(称为$i$ QIST)。该软件包包含几个高度优化的量子杂质求解器,它们基于杂交扩展连续时间量子蒙特卡罗算法,以及一些必要的预处理和后处理工具。首先介绍了连续时间量子蒙特卡罗算法的基本原理,然后讨论了其实现细节和优化策略。还解释了$i$ QIST的软件框架、主要功能和安装过程。最后,提供了几个简单的教程,以演示$i$ QIST的用法和功能。
英文摘要:
Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development and implementation of efficient quantum impurity solvers is an important task. In this paper, we present an open source interacting quantum impurity solver toolkit (dubbed $i$QIST). This package contains several highly optimized quantum impurity solvers which are based on the hybridization expansion continuous-time quantum Monte Carlo algorithm, as well as some essential pre- and post-processing tools. We first introduce the basic principle of continuous-time quantum Monte Carlo algorithm and then discuss the implementation details and optimization strategies. The software framework, major features, and installation procedure for $i$QIST are also explained. Finally, several simple tutorials are presented in order to demonstrate the usage and power of $i$QIST.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。