PMID- 26590526
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20160316
LR  - 20151123
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 143
IP  - 19
DP  - 2015 Nov 21
TI  - Calculation of correlated initial state in the hierarchical equations of motion 
      method using an imaginary time path integral approach.
PG  - 194106
LID - 10.1063/1.4935799 [doi]
AB  - Based on recent findings in the hierarchical equations of motion (HEOM) for 
      correlated initial state [Y. Tanimura, J. Chem. Phys. 141, 044114 (2014)], we 
      propose a new stochastic method to obtain the initial conditions for the real 
      time HEOM propagation, which can be used further to calculate the equilibrium 
      correlation functions and symmetrized correlation functions. The new method is 
      derived through stochastic unraveling of the imaginary time influence functional, 
      where a set of stochastic imaginary time HEOM are obtained. The validity of the 
      new method is demonstrated using numerical examples including the spin-Boson 
      model, and the Holstein model with undamped harmonic oscillator modes.
FAU - Song, Linze
AU  - Song L
AD  - Beijing National Laboratory for Molecular Sciences, State Key Laboratory for 
      Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, 
      Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China.
FAU - Shi, Qiang
AU  - Shi Q
AD  - Beijing National Laboratory for Molecular Sciences, State Key Laboratory for 
      Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, 
      Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
EDAT- 2015/11/23 06:00
MHDA- 2015/11/23 06:01
CRDT- 2015/11/23 06:00
PHST- 2015/11/23 06:00 [entrez]
PHST- 2015/11/23 06:00 [pubmed]
PHST- 2015/11/23 06:01 [medline]
AID - 10.1063/1.4935799 [doi]
PST - ppublish
SO  - J Chem Phys. 2015 Nov 21;143(19):194106. doi: 10.1063/1.4935799.