PMID- 28830182
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180607
LR  - 20180607
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 147
IP  - 7
DP  - 2017 Aug 21
TI  - Low-frequency logarithmic discretization of the reservoir spectrum for improving 
      the efficiency of hierarchical equations of motion approach.
PG  - 074111
LID - 10.1063/1.4999027 [doi]
AB  - An efficient low-frequency logarithmic discretization (LFLD) scheme for the 
      decomposition of fermionic reservoir spectrum is proposed for the investigation 
      of quantum impurity systems. The scheme combines the Pade spectrum decomposition 
      (PSD) and a logarithmic discretization of the residual part in which the 
      parameters are determined based on an extension of the recently developed 
      minimum-dissipaton ansatz [J. J. Ding et al., J. Chem. Phys. 145, 204110 (2016)]. 
      A hierarchical equations of motion (HEOM) approach is then employed to validate 
      the proposed scheme by examining the static and dynamic system properties in both 
      the Kondo and noninteracting regimes. The LFLD scheme requires a much smaller 
      number of exponential functions than the conventional PSD scheme to reproduce the 
      reservoir correlation function and thus facilitates the efficient implementation 
      of the HEOM approach in extremely low temperature regimes.
FAU - Ye, LvZhou
AU  - Ye L
AD  - Hefei National Laboratory for Physical Sciences at the Microscale, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Zhang, Hou-Dao
AU  - Zhang HD
AUID- ORCID: 0000000217291583
AD  - Department of Chemical Physics, University of Science and Technology of China, 
      Hefei, Anhui 230026, China.
FAU - Wang, Yao
AU  - Wang Y
AUID- ORCID: 000000032939208X
AD  - Hefei National Laboratory for Physical Sciences at the Microscale, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Zheng, Xiao
AU  - Zheng X
AD  - Hefei National Laboratory for Physical Sciences at the Microscale, University of 
      Science and Technology of China, Hefei, Anhui 230026, China.
FAU - Yan, YiJing
AU  - Yan Y
AD  - Hefei National Laboratory for Physical Sciences at the Microscale, 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
EDAT- 2017/08/24 06:00
MHDA- 2017/08/24 06:01
CRDT- 2017/08/24 06:00
PHST- 2017/08/24 06:00 [entrez]
PHST- 2017/08/24 06:00 [pubmed]
PHST- 2017/08/24 06:01 [medline]
AID - 10.1063/1.4999027 [doi]
PST - ppublish
SO  - J Chem Phys. 2017 Aug 21;147(7):074111. doi: 10.1063/1.4999027.