Noise-Assisted Quantum Exciton and Electron Transfer in Bio-Complexes with Finite Donor and Acceptor Bandwidths

Abstract: We present an analytic and numerical study of noise-assisted quantum exciton (electron) transfer (ET) in a bio-complex, consisting of an electron donor and acceptor (a dimer), modeled by interacting continuous electron bands of finite widths. The interaction with the protein-solvent environment is modeled by a stationary stochastic process (noise) acting on all the donor and acceptor energy levels. We start with discrete energy levels for both bands. Then, by using a continuous {limit} for the electron spectra, we derive integro-differential equations for ET dynamics between two bands. Finally, we derive from these equations rate-type differential equations for ET dynamics. We formulate the conditions of validity of the rate-type equations. We consider different regions of parameters characterizing the widths of the donor and acceptor bands and the strength of the dimer-noise interaction. For a simplified model with a single energy level donor and a continuous acceptor band, we derive a generalized analytic expression and provide numerical simulations for the ET rate. They are consistent with Wigner-Weisskopf, F\"orster-type, and Marcus-type expressions, in their corresponding regime of parameters.Our analytic results are confirmed by numerical simulations. We demonstrate how our theoretical results are modified {when both the donor and the acceptor are described by finite bands}. We also show that, for a relatively wide acceptor band, the efficiency of the ET from donor to acceptor can be close to 100% for a broad range of noise amplitudes, for both "downhill" and "uphill" ET, for sharp and flat redox potentials, and for reasonably short times. We discuss possible experimental implementations of our approach with application to bio-complexes.