PMID- 26575775
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20160310
LR  - 20151120
IS  - 1549-9626 (Electronic)
IS  - 1549-9618 (Linking)
VI  - 11
IP  - 7
DP  - 2015 Jul 14
TI  - Why Quantum Coherence Is Not Important in the Fenna-Matthews-Olsen Complex.
PG  - 3411-9
LID - 10.1021/ct501066k [doi]
AB  - We develop and present an improvement to the conventional technique for solving 
      the Hierarchical Equations of Motion (HEOM), which can reduce the memory cost by 
      up to 75% while retaining the same (or even better) convergence rate and 
      accuracy. This allows for a full calculation of the population dynamics of the 
      24-site FMO trimer for long time scales with very little effort, and we present 
      the first fully converged, exact results for the 7-site subsystem of the monomer, 
      and for the full 24-site trimer. We then show where our exact 7-site results 
      deviate from the approximation of Ishizaki and Fleming [A. Ishizaki and G. R. 
      Fleming, Proc. Natl. Acad. Sci. U.S.A., 2009, 106, 17255]. Our exact results are 
      then compared to calculations using the incoherent Forster theory, and it is 
      found that the time scale of energy transfer is roughly the same, regardless of 
      whether or not coherence is considered. This means that coherence is not likely 
      to improve the efficiency of the transfer. In fact, the incoherent theory often 
      tends to overpredict the rates of energy transfer, suggesting that, in some 
      cases, quantum coherence may actually slow the photosynthetic process.
FAU - Wilkins, David M
AU  - Wilkins DM
AD  - Physical and Theoretical Chemistry Laboratory, Oxford University , South Parks 
      Road, Oxford, OX1 3QZ, United Kingdom.
AD  - Quantum Chemistry Laboratory, Department of Chemistry, Kyoto University , 
      606-8502, Kyoto, Japan.
AD  - School of Materials Science and Engineering, Nanyang Technological University , 
      Block N4.1, Nanyang Avenue, Singapore 639798.
FAU - Dattani, Nikesh S
AU  - Dattani NS
AD  - Physical and Theoretical Chemistry Laboratory, Oxford University , South Parks 
      Road, Oxford, OX1 3QZ, United Kingdom.
AD  - Quantum Chemistry Laboratory, Department of Chemistry, Kyoto University , 
      606-8502, Kyoto, Japan.
AD  - School of Materials Science and Engineering, Nanyang Technological University , 
      Block N4.1, Nanyang Avenue, Singapore 639798.
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Chem Theory Comput
JT  - Journal of chemical theory and computation
JID - 101232704
EDAT- 2015/11/18 06:00
MHDA- 2015/11/18 06:01
CRDT- 2015/11/18 06:00
PHST- 2015/11/18 06:00 [entrez]
PHST- 2015/11/18 06:00 [pubmed]
PHST- 2015/11/18 06:01 [medline]
AID - 10.1021/ct501066k [doi]
PST - ppublish
SO  - J Chem Theory Comput. 2015 Jul 14;11(7):3411-9. doi: 10.1021/ct501066k.