论文标题
具有任意相关函数的有效计算的运动理论层次方程的概括
Generalization of the hierarchical equations of motion theory for efficient calculations with arbitrary correlation functions
论文作者
论文摘要
运动层次方程（HEOM）理论是严格描述与谐波环境结合的开放量子动力学的标准方法之一。这种模型用于捕获超快速现象中出现的环境的非马克维亚和非扰动效应。在HEOM理论的常规框架中，环境相关函数仅限于指数函数的线性组合。在本文中，我们介绍了HEOM理论的新表述，包括对非指数相关函数的处理，这使我们能够比原始理论和其他概括更有效，更稳定地描述一般环境效应。我们开发的图书馆及其python结合分别以我们的方法进行模拟，分别为libheom和pyheom，作为补充材料。
The hierarchical equations of motion (HEOM) theory is one of the standard methods to rigorously describe open quantum dynamics coupled to harmonic environments. Such a model is used to capture non-Markovian and non-perturbative effects of environments appearing in ultra-fast phenomena. In the regular framework of the HEOM theory, the environment correlation functions are restricted into linear combinations of exponential functions. In this article, we present a new formulation of the HEOM theory including treatments of non-exponential correlation functions, which enables us to describe general environmental effects more efficiently and stably than the original theory and other generalizations. The library and its Python binding we developed to perform simulations based on our approach, named LibHEOM and PyHEOM respectively, are provided as supplementary material.
