Multi-scale exciton and electron transfer in multi-level donor–acceptor systems

Gurvitz, Shmuel; Nesterov, Alexander I.; Berman, Gennady Petrovich

doi:10.1088/1751-8121/aa81fd

Title: Multi-scale exciton and electron transfer in multi-level donor–acceptor systems

Journal Article · 10 August 2017 · Journal of Physics. A, Mathematical and Theoretical

DOI: https://doi.org/10.1088/1751-8121/aa81fd · OSTI ID:1512755

Gurvitz, Shmuel ^[1];

^[2]; Berman, Gennady Petrovich ^[3]

Weizmann Inst., Rehovot (Israel)
Univ. de Guadalajara, Jalisco (Mexico)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Here, we study theoretically the noise-assisted quantum exciton (electron) transfer (ET) in bio-complexes consisting of a single-level electron donor and an acceptor which has a complicated internal structure, and is modeled by many electron energy levels. Interactions are included between the donor and the acceptor energy levels and with the protein–solvent noisy environment. Different regions of parameters are considered, which characterize (i) the number of the acceptor levels, (ii) the acceptor 'band-width', and (iii) the amplitude of noise and its correlation time. Under some conditions, we derive analytical expressions for the ET rate and efficiency. We obtain equal occupation of all levels at large times, independent of the structure of the acceptor band and the noise parameters, but under the condition of non-degeneracy of the acceptor energy levels. We discuss the multi-scale dynamics of the acceptor population, and the accompanying effect of quantum coherent oscillations. We also demonstrate that for a large number of levels in the acceptor band, the efficiency of ET can be close to 100%, for both downhill and uphill transitions and for sharp and flat redox potentials.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: LDRD; USDOE

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1512755

Alternate ID(s):: OSTI ID: 22656189

Report Number(s):: LA-UR--17-21300

Journal Information:: Journal of Physics. A, Mathematical and Theoretical, Journal Name: Journal of Physics. A, Mathematical and Theoretical Journal Issue: 36 Vol. 50; ISSN 1751-8113

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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