The most recent crystal structure of the Fenna-Matthews-Olson (FMO) protein complex indicates that each subunit contains an additional eighth chromophore. It has been proposed that this extra site functions as a link between the chlorosome antenna complex and the remaining seven chromophores in FMO [Schmidt am Busch et al, J. Phys. Chem. Lett., 2, 93 (2011)]. Here, we investigate the implications of this scenario through numerical calculations with the generalized Bloch-Redfield (GBR) equation and the non-interacting blip approximation (NIBA). Three key insights into the population dynamics and energy transfer efficiency in FMO are provided. First, it is shown that the oscillations that are often observed in the population relaxation of the dimer composed of sites one and two may be completely suppressed in the eight site model. The presence of the coherent oscillations is shown to depend upon the particular initial preparation of the dimer state. Secondly it is demonstrated that while the presence of the eighth chromophore does not cause a dramatic change in the energy transfer efficiency, it does however lead to a dominant energy transfer pathway which can be characterized by an effective three site system arranged in an equally-spaced downhill configuration. Such a configuration leads to an optimal value of the site energy of the eighth chromophore which is shown to be near to its suggested value. Finally we confirm that the energy transfer process in the eight site FMO complex remains efficient and robust. The optimal values of the bath parameters are computed and shown to be closer to the experimentally fitted values than those calculated previously for the seven site system.
Excitonic transport in static-disordered one dimensional systems is studied in the presence of thermal fluctuations that are described by the Haken-Strobl-Reineker model. For short times, non-diffusive behavior is observed that can be characterized as the free-particle dynamics on the lengthscale bounded by the Anderson localized system. Over longer time scales, the environment-induced dephasing is sufficient to overcome the Anderson localization caused by the disorder and allow for transport to occur which is always seen to be diffusive. In the limiting regimes of weak and strong dephasing quantum master equations are developed, and their respective scaling relations imply the existence of a maximum in the diffusion constant as a function of the dephasing rate that is confirmed numerically. In the weak dephasing regime, it is demonstrated that the diffusion constant is proportional to the square of the localization length which leads to a significant enhancement of the transport rate
In the study of open quantum systems, the polaron transformation has recently attracted a renewed interest as it offers the possibility to explore the strong system-bath coupling regime.Despite this interest, a clear and unambiguous analysis of the regimes of validity of the polaron transformation is still lacking. Here we provide such a benchmark, comparing second order perturbation theory results in the original untransformed frame, the polaron frame and the variational extension with numerically exact path integral calculations of the equilibrium reduced density matrix. Equilibrium quantities allow a direct comparison of the three methods without invoking any further approximations as is usually required in deriving master equations. It is found that the second order results in the original frame are accurate for weak system-bath coupling, the full polaron results are accurate in the opposite regime of strong coupling, and the variational method is capable of interpolating between these two extremes. As the bath becomes more non-Markovian (slow bath), all three approaches become less accurate.
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