PMID- 32061227
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20200218
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 152
IP  - 6
DP  - 2020 Feb 14
TI  - Hierarchical equations of motion method based on Fano spectrum decomposition for 
      low temperature environments.
PG  - 064107
LID - 10.1063/1.5136093 [doi]
AB  - The hierarchical equations of motion (HEOM) method has become one of the most 
      popular methods for the studies of the open quantum system. However, its 
      applicability to systems at ultra-low temperatures is largely restrained by the 
      enormous computational cost, which is caused by the numerous exponential 
      functions required to accurately characterize the non-Markovian memory of the 
      reservoir environment. To overcome this problem, a Fano spectrum decomposition 
      (FSD) scheme has been proposed recently [Cui et al., J. Chem. Phys. 151, 024110 
      (2019)], which expands the reservoir correlation functions using 
      polynomial-exponential functions and hence greatly reduces the size of the memory 
      basis set. In this work, we explicitly establish the FSD-based HEOM formalisms 
      for both bosonic and fermionic environments. The accuracy and efficiency of the 
      FSD-based HEOM are exemplified by the calculated low-temperature dissipative 
      dynamics of a spin-boson model and the dynamic and static properties of a 
      single-orbital Anderson impurity model in the Kondo regime. The encouraging 
      numerical results highlight the practicality and usefulness of the FSD-based HEOM 
      method for general open systems at ultra-low temperatures.
FAU - Zhang, Hou-Dao
AU  - Zhang HD
AUID- ORCID: 0000000217291583
AD  - Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic 
      Innovation Center of Quantum Information and Quantum Physics, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Cui, Lei
AU  - Cui L
AUID- ORCID: 0000000290526094
AD  - Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic 
      Innovation Center of Quantum Information and Quantum Physics, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Gong, Hong
AU  - Gong H
AUID- ORCID: 0000000331862722
AD  - Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic 
      Innovation Center of Quantum Information and Quantum Physics, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Xu, Rui-Xue
AU  - Xu RX
AUID- ORCID: 000000019931201X
AD  - Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic 
      Innovation Center of Quantum Information and Quantum Physics, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Zheng, Xiao
AU  - Zheng X
AUID- ORCID: 0000000298041833
AD  - Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic 
      Innovation Center of Quantum Information and Quantum Physics, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Yan, YiJing
AU  - Yan Y
AUID- ORCID: 0000000244998154
AD  - Hefei National Laboratory for Physical Sciences at the Microscale, iChEM, 
      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- 2020/02/18 06:00
MHDA- 2020/02/18 06:01
CRDT- 2020/02/17 06:00
PHST- 2020/02/17 06:00 [entrez]
PHST- 2020/02/18 06:00 [pubmed]
PHST- 2020/02/18 06:01 [medline]
AID - 10.1063/1.5136093 [doi]
PST - ppublish
SO  - J Chem Phys. 2020 Feb 14;152(6):064107. doi: 10.1063/1.5136093.