w2dynamics: Local one- and two-particle quantities from dynamical mean field theory

We describe the hybridization-expansion continuous-time quantum Monte Carlo code package “w2dynamics”, developed in Wien and Würzburg. We discuss the main features of this multi-orbital quantum impurity solver for the Anderson impurity model, dynamical mean field theory as well as its coupling to density functional theory. The w2dynamics package allows for calculating one- and two-particle quantities; it includes worm and further novel sampling schemes. Details about its download, installation, functioning and the relevant parameters are provided.

本工作介绍由维也纳（Wien）与维尔茨堡（Würzburg）两地开发的杂化展开连续时间量子蒙特卡洛（hybridization-expansion continuous-time quantum Monte Carlo）代码包"w2dynamics"。本文讨论了该针对安德森杂质模型（Anderson impurity model）的多轨道量子杂质求解器的核心特性，以及其适配动力学平均场理论（dynamical mean field theory）并与密度泛函理论（density functional theory）耦合的相关功能。w2dynamics代码包支持单粒子与双粒子物理量的计算，集成了蠕虫采样方案及其他新型采样方案。文中同时提供了该代码包的下载、安装、运行流程及相关参数的详细说明。