HEOM-QUICK2开放量子体系模拟软件包

该软件包包含HEOM-QUICK2的完整源码与使用手册，未压缩总大小约为144 MB。其核心是新一代通用费米子开放量子体系模拟器，旨在精确、高效地处理强关联、非马尔可夫环境下的量子动力学与稳态问题。软件基于严格的理论框架，通过引入Prony谱分解、绝热截断等先进算法，显著提升了在极低温（如液氦温度）下对低能自旋激发（meV至亚meV量级）的模拟精度与数值稳定性。源码采用模块化设计，包含稳态求解、动力学传播、谱函数计算等核心功能模块，并支持通过OpenMP实现共享内存并行计算。软件包提供了详细的输入输出说明、示例文件及快速入门指南，便于用户快速部署与应用。该软件已成功应用于表面磁性分子体系的扫描隧道显微镜谱学仿真，在量子输运、自旋电子学及量子信息等领域具有重要的理论工具价值。This software package contains the complete source code and user manual of HEOM-QUICK2, with an uncompressed total size of approximately 144 MB. Its core is a new-generation universal fermionic open quantum system simulator, which aims to accurately and efficiently handle quantum dynamics and steady-state problems under strongly correlated, non-Markovian environments. The software, built on a rigorous theoretical framework, significantly improves the simulation accuracy and numerical stability for low-energy spin excitations (ranging from meV to sub-meV scales) under extremely low temperatures (e.g., liquid helium temperatures) by introducing advanced algorithms including Prony spectral decomposition and adiabatic truncation. The source code adopts a modular design, including core functional modules such as steady-state solving, dynamics propagation, and spectral function calculation, and supports shared-memory parallel computing via OpenMP. The software package provides detailed input and output instructions, example files, and a quick start guide to facilitate rapid deployment and application by users. This software has been successfully applied to scanning tunneling microscopy (STM) spectroscopy simulations of surface magnetic molecular systems, and holds important theoretical tool value in fields such as quantum transport, spintronics, and quantum information.