Semiclassical description of electronic excitation population transfer in a model photosynthetic system

Journal of Physical Chemistry Letters

Volumn 1, Issue 6, 2010, Pages 891-894

  Miller, William H ^a,b   Tao, Guohua ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Clusters; Dynamics; Excited States

Indexed keywords

CLUSTERS; COHERENT DYNAMICS; DEGREES OF FREEDOM; ELECTRONIC EXCITATION; ELECTRONIC EXCITATION ENERGY; HOPPING MOTIONS; INITIAL VALUE REPRESENTATION; MD SIMULATION; MODEL SYSTEM; MOLECULAR MODELS; NUCLEAR DYNAMICS; PHOTOSYNTHETIC SYSTEMS; PIGMENT-PROTEIN COMPLEXES; POPULATION TRANSFER; POPULATION TRANSFER DYNAMICS; TIME CORRELATION FUNCTIONS;

ELECTRIC EXCITATION; EQUATIONS OF MOTION; EXCITED STATES;

DYNAMICS;

EID: 77950100923     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz1000825     Document Type: Article

References (23)

1. Blankenship, R. E. Molecular Mechanisms of Photosynthesis; World Scientific: London, 2002.
2. Van Amerongen, H.; Valkunas, L.; van Grondelle, R. Photosynthetic Excitons; World Scientific: Singapore, 2000.
3. Engel, G. S.; Calhoun, T. R.; Read, E. L.; Ahn, T.-K.; Mancal, T.; Cheng, Y.-C.; Blankenship, R. E.; Fleming, G. R. Evidence for Wavelike Energy Transfer through Quantum Coherence in Photosynthetic Systems. Nature 2007, 446, 782-786.
4. Fenna, R. E.; Matthews, B. W. Chlorophyll Arrangement in a Bacteriochlorophyll Protein from Chlorobium Limicola. Nature 1975, 258, 573-577.
5. Redfield, A. G. On the Theory of Relaxation Processes. IBM J. Res. Dev. 1957, 1, 19-31.
6. Ishizaki, A.; Fleming, G. R. On the Adequacy of the Redfield Equation and Related Approaches to the Study of Quantum Dynamics in Electronic Energy Transfer. J. Chem. Phys. 2009, 130, 234110/1-234110/8.
7. Ishizaki, A.; Fleming, G. R. Unified Treatment of Quantum Coherent and Incoherent Hopping Dynamics in Electronic Energy Transfer: Reduced Hierarchy Equations Approach. J. Chem. Phys. 2009, 130, 234111/1-234111/10.
8. Ishizaki, A.; Fleming, G. R. Theoretical Examination of Quantum Coherence in a Photosynthetic System at Physiological Temperature. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 17255-17260
9. Miller, W. H. Spiers Memorial Lecture: Quantum and Semiclassical Theory of Chemical Reaction Rates. Faraday Discuss. Chem. Soc. 1998, 110, 1-21.
10. Miller,W. H. The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations. J. Phys. Chem. A 2001, 105, 2942-2955.
11. Miller, W. H. Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods. J. Phys. Chem. A 2009, 113, 1405-1415.
12. Sun, X.; Miller, W. H. Semiclassical Initial Value Representation for Electronically Nonadiabatic Molecular Dynamics. J. Chem. Phys. 1997, 106, 6346-6353.
13. Sun, X.; Wang, H.; Miller, W. H. Semiclassical Theory of Electronically Nonadiabatic Dynamics: Results of a Linearized Approximation to the Initial Value Representation. J. Chem. Phys. 1998, 109, 7064-7074.
14. Wang, H.; Song, X.; Chandler, D.; Miller, W. H. Semiclassical Study of Electronically Nonadiabatic Dynamics in the Condensed-Phase: Spin-Boson Problem with Debye Spectral Density. J. Chem. Phys. 1999, 110, 4828-4840.
15. Ananth, N.; Venkataraman, C.; Miller, W. H. Semiclassical Description of Electronically Nonadiabatic Dynamics via the Initial Value Representation. J. Chem. Phys. 2007, 127, 084114/1-084114/9.
16. Meyer, H. D.; Miller, W. H. A Classical Analog for Electronic Degrees of Freedom in Nonadiabatic Collision Processes. J. Chem. Phys. 1979, 70, 3214-3223.
17. Stock, G.; Thoss, M. Semiclassical Description of Nonadiabatic Quantum Dynamics. Phys. Rev. Lett. 1997, 78, 578-581.
18. Thoss, M.; Stock, G. Mapping Approach to the Semiclassical Description of Nonadiabatic Quantum Dynamics. Phys. Rev. A 1999, 59, 64-79.
19. Wang, H.; Sun, X.; Miller,W. H. Semiclassical Approximations for the Calculation of Thermal Rate Constants for Chemical Reactions in Complex Molecular Systems. J. Chem. Phys. 1998, 108, 9726-9736.
20. Collini, E.; Scholes, G. D. Coherent Intrachain Energy Migration in a Conjugated Polymer at Room Temperature. Science 2009, 323, 369-373.
21. Wigner, E. On the Quantum Correction for Thermodynamic Equilibrium. Phys. Rev. 1932, 40, 749-759.
22. Golosov, A. A.; Reichman, D. R. Classical Mapping Approaches for Nonadiabatic Dynamics: Short Time Analysis. J. Chem. Phys. 2001, 114, 1065-1074.
23. Wang, H.; Thoss, M.; Sorge, K.; Gelabert, R.; Gimenez, X.; Miller, W. H. Semiclassical Description of Quantum Coherence Effects and Their Quenching: A Forward-Backward Initial Value Representation Study. J. Chem. Phys. 2001, 114, 2562-2571.