Universal time-domain Prony fitting decomposition for optimized hierarchical quantum master equations

In this Communication, we propose the time-domain Prony fitting decomposition (t-PFD) as an accurate and efficient exponential series method, applicable to arbitrary bath correlation functions. The resulting numerical efficiency of hierarchical equations of motion (HEOM) formalism is greatly optimiz...

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Bibliographic Details
Published in:	The Journal of chemical physics 2022-06, Vol.156 (22), p.221102-221102
Main Authors:	Chen, Zi-Hao, Wang, Yao, Zheng, Xiao, Xu, Rui-Xue, Yan, YiJing
Format:	Article
Language:	eng
Subjects:	Decomposition Equations of motion Low temperature Time domain analysis Universal time
Online Access:	Get full text
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Summary:	In this Communication, we propose the time-domain Prony fitting decomposition (t-PFD) as an accurate and efficient exponential series method, applicable to arbitrary bath correlation functions. The resulting numerical efficiency of hierarchical equations of motion (HEOM) formalism is greatly optimized, especially in low temperature regimes that would be inaccessible with other methods. For demonstration, we calibrate the present t-PFD against the celebrated Padé spectrum decomposition method, followed by converged HEOM evaluations on the single-impurity Anderson model system.
ISSN:	0021-9606 1089-7690