Iterative Linearized Density Matrix Propagation for Modeling Coherent Energy Transfer in Photosynthetic Light Harvesting
Pengfei Huo-Sc...pdf (4.045Mb) Poster
Coker, D. F.
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CitationJ. Chem. Phys. 133, 184108 (2010)
We present results of calculations  that employ a new mixed quantum classical iterative density matrix propagation approach (ILDM , or so called Is‐Landmap)  to explore the survival of coherence in different photo synthetic models. Our model studies confirm the long lived quantum coherence , while conventional theoretical tools (such as Redfield equation) fail to describe these phenomenon [3,4]. Our ILDM method is a numerical exactly propagation scheme and can be served as a bench mark calculation tools. Result get from ILDM and from other recent methods have been compared and show agreement with each other[4,5]. Long lived coherence plateau has been attribute to the shift of harmonic potential due to the system bath interaction, and the harvesting efficiency is a balance between the coherence and dissipation. We use this approach to investigate the excitation energy transfer dynamics in various light harvesting complex include Fenna‐Matthews‐Olsen light harvesting complex and Cryptophyte Phycocyanin 645 .  P.Huo and D.F.Coker ,J. Chem. Phys. 133, 184108 (2010) .  E.R. Dunkel, S. Bonella, and D.F. Coker, J. Chem. Phys. 129, 114106 (2008).  A. Ishizaki and G.R. Fleming, J. Chem. Phys. 130, 234111 (2009).  A. Ishizaki and G.R. Fleming, Proc. Natl. Acad. Sci. 106, 17255 (2009).  G. Tao and W.H. Miller, J. Phys. Chem. Lett. 1, 891 (2010).  P.Huo and D.F.Coker in preparation
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