Xu Meng, Yan Yaming, Shi Qiang, Ankerhold J, Stockburger J T
Institute for Complex Quantum Systems and IQST, Ulm University-Albert-Einstein-Allee 11, D-89069 Ulm, Germany.
Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China and University of Chinese Academy of Sciences, Beijing 100049, China.
Phys Rev Lett. 2022 Dec 2;129(23):230601. doi: 10.1103/PhysRevLett.129.230601.
The hierarchical equations of motion (HEOM), derived from the exact Feynman-Vernon path integral, is one of the most powerful numerical methods to simulate the dynamics of open quantum systems. Its applicability has so far been limited to specific forms of spectral reservoir distributions and relatively elevated temperatures. Here we solve this problem and introduce an effective treatment of quantum noise in frequency space by systematically clustering higher order Matsubara poles, equivalent to an optimized rational decomposition. This leads to an elegant extension of the HEOM to arbitrary temperatures and very general reservoirs in combination with efficiency, high accuracy, and long-time stability. Moreover, the technique can directly be implemented in other approaches such as Green's function, stochastic, and pseudomode formulations. As one highly nontrivial application, for the subohmic spin-boson model at vanishing temperature the Shiba relation is quantitatively verified which predicts the long-time decay of correlation functions.
从精确的费曼 - 弗农路径积分导出的层级运动方程(HEOM)是模拟开放量子系统动力学最强大的数值方法之一。迄今为止,其适用性仅限于特定形式的谱库分布和相对较高的温度。在此,我们解决了这个问题,并通过系统地聚类高阶松原极点,在频率空间中引入了一种有效的量子噪声处理方法,这等效于一种优化的有理分解。这导致了HEOM优雅地扩展到任意温度和非常一般的库,同时兼具效率、高精度和长时间稳定性。此外,该技术可以直接应用于其他方法,如格林函数、随机和伪模公式。作为一个极具挑战性的应用,对于零温度下的亚欧姆自旋 - 玻色子模型,定量验证了预测关联函数长时间衰减的芝田关系。