Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

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

Abstract

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.

Authors:
 [1]; ORCiD logo [2];  [3]
+ Show Author Affiliations
  1. Weizmann Inst., Rehovot (Israel)
  2. Univ. de Guadalajara, Jalisco (Mexico)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1512755
Report Number(s):
LA-UR-17-21300
Journal ID: ISSN 1751-8113
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physics. A, Mathematical and Theoretical
Additional Journal Information:
Journal Volume: 50; Journal Issue: 36; Journal ID: ISSN 1751-8113
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Mathematics; bio-complex; band width; noise

Citation Formats

Gurvitz, Shmuel, Nesterov, Alexander I., and Berman, Gennady Petrovich. Multi-scale exciton and electron transfer in multi-level donor–acceptor systems. United States: N. p., 2017. Web. doi:10.1088/1751-8121/aa81fd.
Copy to clipboard
Gurvitz, Shmuel, Nesterov, Alexander I., & Berman, Gennady Petrovich. Multi-scale exciton and electron transfer in multi-level donor–acceptor systems. United States. https://doi.org/10.1088/1751-8121/aa81fd
Copy to clipboard
Gurvitz, Shmuel, Nesterov, Alexander I., and Berman, Gennady Petrovich. Fri . "Multi-scale exciton and electron transfer in multi-level donor–acceptor systems". United States. https://doi.org/10.1088/1751-8121/aa81fd. https://www.osti.gov/servlets/purl/1512755.
Copy to clipboard
@article{osti_1512755,
title = {Multi-scale exciton and electron transfer in multi-level donor–acceptor systems},
author = {Gurvitz, Shmuel and Nesterov, Alexander I. and Berman, Gennady Petrovich},
abstractNote = {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.},
doi = {10.1088/1751-8121/aa81fd},
journal = {Journal of Physics. A, Mathematical and Theoretical},
number = 36,
volume = 50,
place = {United States},
year = {Fri Aug 11 00:00:00 EDT 2017},
month = {Fri Aug 11 00:00:00 EDT 2017}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1088/1751-8121/aa81fd
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: Schematic of our simplified model consisting of an single-level donor and of a $N$ -level acceptor.
All figures and tables (12 total)
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Quantum Effects in Biology
book, August 2014

Simulations of the Two-Dimensional Electronic Spectroscopy of the Photosystem II Reaction Center
journal, December 2012

  • Lewis, K. L. M.; Fuller, F. D.; Myers, J. A.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 1
  • DOI: 10.1021/jp3081707

Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
journal, April 2007

  • Engel, Gregory S.; Calhoun, Tessa R.; Read, Elizabeth L.
  • Nature, Vol. 446, Issue 7137
  • DOI: 10.1038/nature05678

Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature
journal, February 2010

  • Collini, Elisabetta; Wong, Cathy Y.; Wilk, Krystyna E.
  • Nature, Vol. 463, Issue 7281
  • DOI: 10.1038/nature08811

Long-lived quantum coherence in photosynthetic complexes at physiological temperature
journal, July 2010

  • Panitchayangkoon, G.; Hayes, D.; Fransted, K. A.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 29
  • DOI: 10.1073/pnas.1005484107

On the adequacy of the Redfield equation and related approaches to the study of quantum dynamics in electronic energy transfer
journal, June 2009

  • Ishizaki, Akihito; Fleming, Graham R.
  • The Journal of Chemical Physics, Vol. 130, Issue 23
  • DOI: 10.1063/1.3155214

Theoretical examination of quantum coherence in a photosynthetic system at physiological temperature
journal, October 2009

  • Ishizaki, A.; Fleming, G. R.
  • Proceedings of the National Academy of Sciences, Vol. 106, Issue 41
  • DOI: 10.1073/pnas.0908989106

On the Interpretation of Quantum Coherent Beats Observed in Two-Dimensional Electronic Spectra of Photosynthetic Light Harvesting Complexes
journal, May 2011

  • Ishizaki, Akihito; Fleming, Graham R.
  • The Journal of Physical Chemistry B, Vol. 115, Issue 19
  • DOI: 10.1021/jp112406h

Environment-assisted quantum transport
journal, March 2009

Superradiance Transition in Photosynthetic Light-Harvesting Complexes
journal, October 2012

  • Celardo, Giuseppe L.; Borgonovi, Fausto; Merkli, Marco
  • The Journal of Physical Chemistry C, Vol. 116, Issue 42
  • DOI: 10.1021/jp302627w

Electron transfer reactions: generalized spin-boson approach
journal, December 2012

Charge and Energy Transfer Dynamics in Molecular Systems
book, February 2011

A Structure-Based Model of Energy Transfer Reveals the Principles of Light Harvesting in Photosystem II Supercomplexes
journal, June 2013

  • Bennett, Doran I. G.; Amarnath, Kapil; Fleming, Graham R.
  • Journal of the American Chemical Society, Vol. 135, Issue 24
  • DOI: 10.1021/ja403685a

Vibronic Coupling. I. Mathematical Treatment for Two Electronic States
journal, September 1961

  • Fulton, Robert L.; Gouterman, Martin
  • The Journal of Chemical Physics, Vol. 35, Issue 3
  • DOI: 10.1063/1.1701181

Resonance Raman spectra of chlorophyll in solution
journal, October 1974

Vibrational vs. electronic coherences in 2D spectrum of molecular systems
journal, August 2012

The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae
journal, November 2012

  • Kolli, Avinash; O’Reilly, Edward J.; Scholes, Gregory D.
  • The Journal of Chemical Physics, Vol. 137, Issue 17
  • DOI: 10.1063/1.4764100

Coherent Exciton Dynamics in the Presence of Underdamped Vibrations
journal, February 2015

  • Dijkstra, Arend G.; Wang, Chen; Cao, Jianshu
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 4
  • DOI: 10.1021/jz502701u

Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy
journal, May 2015

  • Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.
  • The Journal of Chemical Physics, Vol. 142, Issue 17
  • DOI: 10.1063/1.4919684

Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra
journal, June 2015

  • Fujihashi, Yuta; Fleming, Graham R.; Ishizaki, Akihito
  • The Journal of Chemical Physics, Vol. 142, Issue 21
  • DOI: 10.1063/1.4914302

Protein dynamics and 1/f noise
journal, August 1992

Protein noises
conference, May 2003

  • McMahon, Benjamin H.; Fenimore, Paul W.; LaBute, Montiago X.
  • SPIE's First International Symposium on Fluctuations and Noise, SPIE Proceedings
  • DOI: 10.1117/12.497137

Fluctuations in Biological and Bioinspired Electron-Transfer Reactions
journal, March 2010

Characteristic noise features in light transmission across membrane protein undergoing photocycle
journal, February 2011

  • Das, Anshuman. J.; Mukhopadhyay, Sabyasachi; Narayan, K. S.
  • The Journal of Chemical Physics, Vol. 134, Issue 7
  • DOI: 10.1063/1.3554745

Non-Hermitian approach for modeling of noise-assisted quantum electron transfer in photosynthetic complexes
journal, June 2012

  • Nesterov, A. I.; Berman, G. P.; Bishop, A. R.
  • Fortschritte der Physik, Vol. 61, Issue 2-3
  • DOI: 10.1002/prop.201200069

Noise-assisted quantum electron transfer in photosynthetic complexes
journal, July 2013

  • Nesterov, Alexander I.; Berman, Gennady P.; Sánchez Martínez, José Manuel
  • Journal of Mathematical Chemistry, Vol. 51, Issue 9
  • DOI: 10.1007/s10910-013-0226-8

Multichromophoric Förster Resonance Energy Transfer
journal, May 2004

Exponential decay, recurrences, and quantum-mechanical spreading in a quasicontinuum model
journal, July 1983

  • Milonni, P. W.; Ackerhalt, J. R.; Galbraith, H. W.
  • Physical Review A, Vol. 28, Issue 1
  • DOI: 10.1103/PhysRevA.28.32

Non-Gaussian dephasing in flux qubits due to 1 ∕ f noise
journal, August 2007

Quantum mechanical approach to decoherence and relaxation generated by fluctuating environment
journal, February 2008

Architecture and mechanism of the light-harvesting apparatus of purple bacteria
journal, May 1998

  • Hu, X.; Damjanovic, A.; Ritz, T.
  • Proceedings of the National Academy of Sciences, Vol. 95, Issue 11
  • DOI: 10.1073/pnas.95.11.5935

Stochastic Theory of Line Shape: Generalization of the Kubo-Anderson Model
journal, October 1968

Dephasing due to background charge fluctuations
journal, May 2003

Decoherence in qubits due to low-frequency noise
journal, February 2009

Retrieving qubit information despite decoherence
journal, December 2010

Temporal evolution of resonant transmission under telegraph noise
journal, August 2016

Electron transfers in chemistry and biology
journal, August 1985

  • Marcus, R. A.; Sutin, Norman
  • Biochimica et Biophysica Acta (BBA) - Reviews on Bioenergetics, Vol. 811, Issue 3
  • DOI: 10.1016/0304-4173(85)90014-X

Generalized Haken-Strobl-Reineker model of excitation transfer
journal, March 1985

  • Čápek, V.
  • Zeitschrift für Physik B Condensed Matter, Vol. 60, Issue 1
  • DOI: 10.1007/BF01312648

Bridged-assisted electron transfer. Random matrix theory approach
journal, July 1998

Dephasing effects in molecular junction conduction: An analytical treatment
journal, September 2005

Photosynthetic Excitons
book, January 2000

  • van Amerongen, Herbert; van Grondelle, Rienk; Valkunas, Leonas
  • World Scientific
  • DOI: 10.1142/3609

Outer-sphere electron transfer in polar solvents
journal, July 1980

Delocalization in the Anderson Model due to a Local Measurement
journal, July 2000

Multiscale dynamics of open three-level quantum systems with two quasi-degenerate levels
journal, June 2015

  • Merkli, Marco; Song, Haifeng; Berman, Gennady P.
  • Journal of Physics A: Mathematical and Theoretical, Vol. 48, Issue 27
  • DOI: 10.1088/1751-8113/48/27/275304

A Structure-Based Model of Energy Transfer Reveals the Principles of Light Harvesting in Photosystem II Supercomplexes
journal, June 2013

  • Bennett, Doran I. G.; Amarnath, Kapil; Fleming, Graham R.
  • Journal of the American Chemical Society, Vol. 135, Issue 24
  • DOI: 10.1021/ja403685a

Long-lived quantum coherence in photosynthetic complexes at physiological temperature
journal, July 2010

  • Panitchayangkoon, G.; Hayes, D.; Fransted, K. A.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 29
  • DOI: 10.1073/pnas.1005484107

Decoherence in qubits due to low-frequency noise
journal, February 2009

Fluctuations in Biological and Bioinspired Electron-Transfer Reactions
journal, March 2010

Partial decoherence in mesoscopic systems
text, January 2012

    Sort by:
    [ × clear filter / sort ]

    Works referencing / citing this record:

    Modeling of noise-assisted quantum transfer between donor and acceptor with finite bandwidths
    journal, October 2019

    • Nesterov, Alexander I.; Berman, Gennady P.; Merkli, Marco
    • Journal of Physics A: Mathematical and Theoretical, Vol. 52, Issue 43
    • DOI: 10.1088/1751-8121/ab4502
      Sort by:
      [ × clear filter / sort ]

      Figures / Tables found in this record:

      Figure 1 (p. 5)figure
      Figure 2 (p. 7)figure
      Figure 3 (p. 14)figure
      Figure 4 (p. 15)figure
      Figure 5 (p. 17)figure
      Figure 6 (p. 21)figure
      Figure 7 (p. 23)figure
      Figure 8 (p. 25)figure
      Figure 9 (p. 25)figure
      Figure 10 (p. 26)figure
      Figure 11 (p. 27)figure
      Figure 12 (p. 28)figure
        [ × clear filter / sort ]
        Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.

        Similar Records in DOE PAGES and OSTI.GOV collections: