Application of stochastic Liouville-von Neumann equation to electronic energy transfer in FMO complex

•Stochastic Liouville-von Neumann equation is applied to energy transfer dynamics.•Noise generation methods for dealing with exciton in FMO complexes are proposed.•Structured spectral densities could better support coherent population dynamics.

A stochastic Liouville-von Neumann approach to solving a spin-boson model is applied to electronic energy transfer in Fenna-Matthews-Olson (FMO) complexes as a case study of the dynamics in biological systems. We modify a noise generation method to treat an experimentally obtained highly structured spectral density. By considering the population dynamics in a two-site system with a model structured spectral density, we numerically observe two kinds of coherent motions associated with inter-site coupling and system-bath coupling, the latter of which is mainly attributed to the peak structure of the spectral density.

Graphical abstractDownload full-size image