PMID- 26757138
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180123
LR  - 20180123
IS  - 1520-5215 (Electronic)
IS  - 1089-5639 (Linking)
VI  - 120
IP  - 19
DP  - 2016 May 19
TI  - Kinetic Rate Kernels via Hierarchical Liouville-Space Projection Operator 
      Approach.
PG  - 3241-5
LID - 10.1021/acs.jpca.5b11731 [doi]
AB  - Kinetic rate kernels in general multisite systems are formulated on the basis of 
      a nonperturbative quantum dissipation theory, the hierarchical equations of 
      motion (HEOM) formalism, together with the Nakajima-Zwanzig projection operator 
      technique. The present approach exploits the HEOM-space linear algebra. The 
      quantum non-Markovian site-to-site transfer rate can be faithfully evaluated via 
      projected HEOM dynamics. The developed method is exact, as evident by the 
      comparison to the direct HEOM evaluation results on the population evolution.
FAU - Zhang, Hou-Dao
AU  - Zhang HD
AD  - Department of Chemistry, Hong Kong University of Science and Technology , Hong 
      Kong, China.
FAU - Yan, YiJing
AU  - Yan Y
AD  - Department of Chemistry, Hong Kong University of Science and Technology , Hong 
      Kong, China.
AD  - Hefei National Laboratory for Physical Sciences at the Microscale, iChEM 
      (Collaborative Innovation Center of Chemistry for Energy Materials), University 
      of Science and Technology of China , Hefei 230026, China.
LA  - eng
PT  - Journal Article
DEP - 20160125
PL  - United States
TA  - J Phys Chem A
JT  - The journal of physical chemistry. A
JID - 9890903
EDAT- 2016/01/13 06:00
MHDA- 2016/01/13 06:01
CRDT- 2016/01/13 06:00
PHST- 2016/01/13 06:00 [entrez]
PHST- 2016/01/13 06:00 [pubmed]
PHST- 2016/01/13 06:01 [medline]
AID - 10.1021/acs.jpca.5b11731 [doi]
PST - ppublish
SO  - J Phys Chem A. 2016 May 19;120(19):3241-5. doi: 10.1021/acs.jpca.5b11731. Epub 
      2016 Jan 25.