Coherent excitation energy transfer in model photosynthetic reaction center: Effects of non-Markovian quantum environment

Abstract

Excitation energy transfer (EET) and electron transfer (ET) are crucially involved in photosynthetic processes. In reality, the photosynthetic reaction center constitutes an open quantum system of EET and ET, which manifests interplay of pigments, solar light, and phonon baths. So far, theoretical studies have been mainly based on master equation approaches in the Markovian condition. The non-Markovian environmental effect, which may play a crucial role, has not been sufficiently considered. In this work, we propose a mixed dynamic approach to investigate this open system. The influence of phonon bath is treated via the exact dissipaton equation of motion (DEOM), while that of photon bath is via the Lindblad master equation. Specifically, we explore the effect of non-Markovian quantum phonon bath on the coherent transfer dynamics and its manipulation on the current–voltage behavior. Distinguished from the results of the completely Markovian–Lindblad equation and those adopting the classical environment description, the mixed DEOM–Lindblad simulations exhibit transfer coherence up to a few hundred femtoseconds and the related environmental manipulation effect on the current. These non-Markovian quantum coherent effects may be extended to more complex and realistic systems and be helpful in the design of organic photovoltaic devices.