PMID- 29739219
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180611
LR  - 20180611
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 148
IP  - 17
DP  - 2018 May 7
TI  - Efficient propagation of the hierarchical equations of motion using the matrix 
      product state method.
PG  - 174102
LID - 10.1063/1.5026753 [doi]
AB  - We apply the matrix product state (MPS) method to propagate the hierarchical 
      equations of motion (HEOM). It is shown that the MPS approximation works well in 
      different type of problems, including boson and fermion baths. The MPS method 
      based on the time-dependent variational principle is also found to be applicable 
      to HEOM with over one thousand effective modes. Combining the flexibility of the 
      HEOM in defining the effective modes and the efficiency of the MPS method thus 
      may provide a promising tool in simulating quantum dynamics in condensed phases.
FAU - Shi, Qiang
AU  - Shi Q
AD  - Beijing National Laboratory for Molecular Sciences, State Key Laboratory for 
      Structural Chemistry of Unstable and Stable Species, CAS Research/Education 
      Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese 
      Academy of Sciences, Zhongguancun, Beijing 100190, China and University of 
      Chinese Academy of Sciences, Beijing 100049, China.
FAU - Xu, Yang
AU  - Xu Y
AD  - Beijing National Laboratory for Molecular Sciences, State Key Laboratory for 
      Structural Chemistry of Unstable and Stable Species, CAS Research/Education 
      Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese 
      Academy of Sciences, Zhongguancun, Beijing 100190, China and University of 
      Chinese Academy of Sciences, Beijing 100049, China.
FAU - Yan, Yaming
AU  - Yan Y
AD  - Beijing National Laboratory for Molecular Sciences, State Key Laboratory for 
      Structural Chemistry of Unstable and Stable Species, CAS Research/Education 
      Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese 
      Academy of Sciences, Zhongguancun, Beijing 100190, China and University of 
      Chinese Academy of Sciences, Beijing 100049, China.
FAU - Xu, Meng
AU  - Xu M
AUID- ORCID: 0000000224400645
AD  - Beijing National Laboratory for Molecular Sciences, State Key Laboratory for 
      Structural Chemistry of Unstable and Stable Species, CAS Research/Education 
      Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese 
      Academy of Sciences, Zhongguancun, Beijing 100190, China and University of 
      Chinese Academy of Sciences, Beijing 100049, China.
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
EDAT- 2018/05/10 06:00
MHDA- 2018/05/10 06:01
CRDT- 2018/05/10 06:00
PHST- 2018/05/10 06:00 [entrez]
PHST- 2018/05/10 06:00 [pubmed]
PHST- 2018/05/10 06:01 [medline]
AID - 10.1063/1.5026753 [doi]
PST - ppublish
SO  - J Chem Phys. 2018 May 7;148(17):174102. doi: 10.1063/1.5026753.