PMID- 35705405
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20220615
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 156
IP  - 22
DP  - 2022 Jun 14
TI  - Universal time-domain Prony fitting decomposition for optimized hierarchical 
      quantum master equations.
PG  - 221102
LID - 10.1063/5.0095961 [doi]
AB  - 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 
      Pade spectrum decomposition method, followed by converged HEOM evaluations on the 
      single-impurity Anderson model system.
FAU - Chen, Zi-Hao
AU  - Chen ZH
AUID- ORCID: 0000-0002-2575-0081
AD  - Department of Chemical Physics, University of Science and Technology of China, 
      Hefei, Anhui 230026, China.
FAU - Wang, Yao
AU  - Wang Y
AUID- ORCID: 0000-0003-2939-208X
AD  - Department of Chemical Physics, University of Science and Technology of China, 
      Hefei, Anhui 230026, China.
FAU - Zheng, Xiao
AU  - Zheng X
AUID- ORCID: 0000-0002-9804-1833
AD  - Department of Chemical Physics, University of Science and Technology of China, 
      Hefei, Anhui 230026, China.
FAU - Xu, Rui-Xue
AU  - Xu RX
AUID- ORCID: 0000-0001-9931-201X
AD  - Department of Chemical Physics, University of Science and Technology of China, 
      Hefei, Anhui 230026, China.
FAU - Yan, YiJing
AU  - Yan Y
AUID- ORCID: 0000-0002-4499-8154
AD  - Department of Chemical Physics, University of Science and Technology of China, 
      Hefei, Anhui 230026, China.
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
SB  - IM
EDAT- 2022/06/16 06:00
MHDA- 2022/06/16 06:01
CRDT- 2022/06/15 22:03
PHST- 2022/06/15 22:03 [entrez]
PHST- 2022/06/16 06:00 [pubmed]
PHST- 2022/06/16 06:01 [medline]
AID - 10.1063/5.0095961 [doi]
PST - ppublish
SO  - J Chem Phys. 2022 Jun 14;156(22):221102. doi: 10.1063/5.0095961.