Non-Hermitian approach for modeling of noise-assisted quantum electron transfer in photosynthetic complexes

TL;DR

This paper models quantum electron transfer in photosynthetic complexes using a non-Hermitian Hamiltonian, incorporating noise effects and analyzing how various parameters influence transfer efficiency.

Contribution

It introduces a non-Hermitian Hamiltonian model with classical noise for simulating noise-assisted quantum electron transfer in photosynthesis.

Findings

Noise enhances transfer efficiency under certain conditions

The spectral density of noise significantly affects transfer dynamics

Numerical simulations demonstrate the model's applicability to photosystem II RC

Abstract

We model the quantum electron transfer (ET) in the photosynthetic reaction center (RC), using a non-Hermitian Hamiltonian approach. Our model includes (i) two protein cofactors, donor and acceptor, with discrete energy levels and (ii) a third protein pigment (sink) which has a continuous energy spectrum. Interactions are introduced between the donor and acceptor, and between the acceptor and the sink, with noise acting between the donor and acceptor. The noise is considered classically (as an external random force), and it is described by an ensemble of two-level systems (random fluctuators). Each fluctuator has two independent parameters, an amplitude and a switching rate. We represent the noise by a set of fluctuators with fitting parameters (boundaries of switching rates), which allows us to build a desired spectral density of noise in a wide range of frequencies. We analyze the quantum dynamics and the efficiency of the ET as a function of (i) the energy gap between the donor and acceptor, (ii) the strength of the interaction with the continuum, and (iii) noise parameters. As an example, numerical results are presented for the ET through the active pathway in a quinone-type photosystem II RC.