AI 中文总结
针对强关联电子系统DMFT计算中量子杂质求解器开发的挑战，提出开源包$\texttt{iNORG}$，基于自然轨道重整化群方法，通过优化浴表示等降低成本、提高精度，介绍了方法原理、实现细节及用法。
AI 中文摘要
在强关联电子系统的动态平均场理论（DMFT）计算中，量子杂质求解器在处理关联晶格模型和实际材料时起着核心计算作用。因此，开发高效且稳健的量子杂质求解器仍是关键挑战。本文提出了基于自然轨道重整化群（NORG）方法的开源量子杂质求解器包$\texttt{iNORG}$。该软件通过利用自然轨道优化浴表示并融入高效希尔伯特空间选择和格林函数计算高效算法等先进特性，在降低计算成本的同时实现高精度。首先介绍NORG方法基本原理，接着讨论实现细节，还解释了$\texttt{iNORG}$的软件框架、主要特性及安装过程。最后给出几个简单示例展示其用法。
英文摘要
In the context of dynamical mean-field theory (DMFT) calculations for strongly correlated electron systems, quantum impurity solvers play a central computational role in treating correlated lattice models and realistic materials. Consequently, developing efficient and robust quantum impurity solvers remains a key challenge. In this paper, we present an open-source quantum impurity solver package based on the natural orbitals renormalization group (NORG) method, dubbed $\texttt{iNORG}$. This software delivers high accuracy with reduced computational cost by optimizing the bath representation using natural orbitals and incorporating advanced features such as efficient Hilbert space selection and efficient algorithms for computing Green's functions. We first introduce the basic principle of the NORG method and then discuss the implementation details. The software framework, major features, and installation procedure for $\texttt{iNORG}$ are explained as well. Finally, several simple examples are presented to demonstrate the usage of $\texttt{iNORG}$.
Comments27 pages, 6 figures
