标题： TRIQS/CTHYB：用于量子杂质问题的连续时间量子蒙特卡罗杂化展开求解器 显示英文标题

标题： TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridization Expansion Solver for Quantum Impurity Problems

摘要： 我们介绍TRIQS/CTHYB，这是TRIQS包中连续时间混合展开量子杂质求解器的最先进的开源实现。 此代码主要用于与TRIQS库一起使用，以在多轨道动力学平均场理论方法中解决自洽量子杂质问题，特别是在现实计算的背景下。 它用C++实现以提高效率，并提供了一个高级的Python接口。 该代码附带一种新的分区算法，可以在无需用户了解哈密顿量的对称性和量子数的情况下划分局部希尔伯特空间。 此外，我们实现了高阶构型移动，并表明即使在没有对称性破缺的情况下，这些移动对于确保常见哈密顿量的蒙特卡洛遍历性也是必要的。 显示英文摘要

摘要： We present TRIQS/CTHYB, a state-of-the art open-source implementation of the continuous-time hybridisation expansion quantum impurity solver of the TRIQS package. This code is mainly designed to be used with the TRIQS library in order to solve the self-consistent quantum impurity problem in a multi-orbital dynamical mean field theory approach to strongly-correlated electrons, in particular in the context of realistic calculations. It is implemented in C++ for efficiency and is provided with a high-level Python interface. The code is ships with a new partitioning algorithm that divides the local Hilbert space without any user knowledge of the symmetries and quantum numbers of the Hamiltonian. Furthermore, we implement higher-order configuration moves and show that such moves are necessary to ensure ergodicity of the Monte Carlo in common Hamiltonians even without symmetry-breaking.