PMID- 29289122
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180607
LR  - 20180607
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 147
IP  - 24
DP  - 2017 Dec 28
TI  - Quantum kinetic expansion in the spin-boson model: Matrix formulation and 
      system-bath factorized initial state.
PG  - 244112
LID - 10.1063/1.4998784 [doi]
AB  - Within the framework of the hierarchy equation of motion (HEOM), the quantum 
      kinetic expansion (QKE) method of the spin-boson model is reformulated in the 
      matrix representation. The equivalence between the two formulations (HEOM 
      matrices and quantum operators) is numerically verified from the calculation of 
      the time-integrated QKE rates. The matrix formulation of the QKE is extended to 
      the system-bath factorized initial state. Following a one-to-one mapping between 
      HEOM matrices and quantum operators, a quantum kinetic equation is rederived. The 
      rate kernel is modified by an extra term following a systematic expansion over 
      the site-site coupling. This modified QKE is numerically tested for its 
      reliability by calculating the time-integrated rate and non-Markovian population 
      kinetics. For an intermediate-to-strong dissipation strength and a large 
      site-site coupling, the population transfer is found to be significantly 
      different when the initial condition is changed from the local equilibrium to 
      system-bath factorized state.
FAU - Gong, Zhihao
AU  - Gong Z
AUID- ORCID: 000000029643633X
AD  - Physics Department, Zhejiang University, 38 ZheDa Road, Hangzhou, Zhejiang 
      310027, China.
FAU - Tang, Zhoufei
AU  - Tang Z
AD  - Physics Department, Zhejiang University, 38 ZheDa Road, Hangzhou, Zhejiang 
      310027, China.
FAU - Wang, Haobin
AU  - Wang H
AD  - Department of Chemistry, University of Colorado Denver, Denver, Colorado 
      80217-3364, USA.
FAU - Wu, Jianlan
AU  - Wu J
AD  - Physics Department, Zhejiang University, 38 ZheDa Road, Hangzhou, Zhejiang 
      310027, China.
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
EDAT- 2018/01/01 06:00
MHDA- 2018/01/01 06:01
CRDT- 2018/01/01 06:00
PHST- 2018/01/01 06:00 [entrez]
PHST- 2018/01/01 06:00 [pubmed]
PHST- 2018/01/01 06:01 [medline]
AID - 10.1063/1.4998784 [doi]
PST - ppublish
SO  - J Chem Phys. 2017 Dec 28;147(24):244112. doi: 10.1063/1.4998784.