PMID- 26671363 OWN - NLM STAT- PubMed-not-MEDLINE DCOM- 20160425 LR - 20151216 IS - 1089-7690 (Electronic) IS - 0021-9606 (Linking) VI - 143 IP - 22 DP - 2015 Dec 14 TI - Extended hierarchy equation of motion for the spin-boson model. PG - 224112 LID - 10.1063/1.4936924 [doi] AB - An extended hierarchy equation of motion (HEOM) is proposed and applied to study the dynamics of the spin-boson model. In this approach, a complete set of orthonormal functions are used to expand an arbitrary bath correlation function. As a result, a complete dynamic basis set is constructed by including the system reduced density matrix and auxiliary fields composed of these expansion functions, where the extended HEOM is derived for the time derivative of each element. The reliability of the extended HEOM is demonstrated by comparison with the stochastic Hamiltonian approach under room-temperature classical ohmic and sub-ohmic noises and the multilayer multiconfiguration time-dependent Hartree theory under zero-temperature quantum ohmic noise. Upon increasing the order in the hierarchical expansion, the result obtained from the extended HOEM systematically converges to the numerically exact answer. FAU - Tang, Zhoufei AU - Tang Z AD - Physics Department, Zhejiang University, 38 ZheDa Road, Hangzhou, Zhejiang 310027, China. FAU - Ouyang, Xiaolong AU - Ouyang X AD - Physics Department, Zhejiang University, 38 ZheDa Road, Hangzhou, Zhejiang 310027, China. FAU - Gong, Zhihao AU - Gong 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 PT - Research Support, Non-U.S. Gov't PT - Research Support, U.S. Gov't, Non-P.H.S. PL - United States TA - J Chem Phys JT - The Journal of chemical physics JID - 0375360 EDAT- 2015/12/17 06:00 MHDA- 2015/12/17 06:01 CRDT- 2015/12/17 06:00 PHST- 2015/12/17 06:00 [entrez] PHST- 2015/12/17 06:00 [pubmed] PHST- 2015/12/17 06:01 [medline] AID - 10.1063/1.4936924 [doi] PST - ppublish SO - J Chem Phys. 2015 Dec 14;143(22):224112. doi: 10.1063/1.4936924.