Comparative study on model parameter evaluations for the energy transfer dynamics in Fenna–Matthews–Olson complex

Abstract

Fenna–Matthews–Olson (FMO) light-harvesting protein that connects the outer antenna system with the reaction center in green sulfur bacteria provides a paradigmatic model system in terms of the observed quantum coherence possibly associated with highly efficient excitation energy transfer (EET) in the photosynthetic system. There have been many computational studies on the EET dynamics of FMO complex, in which two sets of model parameters, site energies and excitonic coupling energies for eight bacteriochlorophyll (BChl) a pigments, play pivotal roles. In this study, we examine the optimality of these energy parameters evaluated by various research groups on the basis of generalized quantum master equations describing the EET dynamics among eight BChls. We thus find that most energy parameters are nearly optimal for high efficiency in the cases that BChl 1 and/or BChl 6 are initially excited, with some exceptions due to putative inaccuracies in the parameter evaluations.