From atomistic modeling to excitation transfer and two-dimensional spectra of the FMO light-harvesting complex

Journal of Physical Chemistry B

Volumn 115, Issue 26, 2011, Pages 8609-8621

  Olbrich, Carsten ^a   Jansen, Thomas L C ^b   Liebers, Jörg ^a   Aghtar, Mortaza ^a   Strümpfer, Johan ^c   Schulten, Klaus ^c   Knoester, Jasper ^b   Kleinekathöfer, Ulrich ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

^b UNIVERSITY OF GRONINGEN   (Netherlands)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLINGS; DYNAMICS; ELECTRIC POWER DISTRIBUTION; ELECTRONIC STRUCTURE; EXCITED STATES; EXCITONS; GAUSSIAN NOISE (ELECTRONIC); HAMILTONIANS; ION BEAMS; MOLECULAR DYNAMICS; QUANTUM THEORY; TWO DIMENSIONAL;

ATOMISTIC MODELING; BACTERIOCHLOROPHYLLS; COMPLEX MOLECULAR SYSTEMS; ELECTRONIC COUPLING; ELECTRONIC STRUCTURE CALCULATIONS; ENERGY DISTRIBUTIONS; EXCITATION TRANSFER; EXCITED-STATE DYNAMICS; EXCITON DYNAMICS; EXPERIMENTAL OBSERVATION; IN-LINE; LIGHT-HARVESTING COMPLEX; LINEAR ABSORPTION; LOW TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; NON-GAUSSIAN; QUANTUM COHERENCE; ROOM TEMPERATURE; SPATIAL CORRELATIONS; TIME-DEPENDENT; TIME-DEPENDENT HAMILTONIANS; TOTAL LOSS; TWO-DIMENSIONAL SPECTRA; VERTICAL EXCITATION ENERGY; WAVE-PACKET DYNAMICS;

ELECTRON ENERGY LOSS SPECTROSCOPY;

EID: 79959990317     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp202619a     Document Type: Article

References (67)

1. Hu, X.; Ritz, T.; Damjanović, A.; Autenrieth, F.; Schulten, K. Q. Rev. Biophys. 2002, 35, 1-62
2. Cogdell, R. J.; Gall, A.; Köhler, J. Q. Rev. Biophys. 2006, 39, 227-324
3. Cheng, Y. C.; Fleming, G. R. Annu. Rev. Phys. Chem. 2009, 60, 241-242
4. Novoderezhkin, V. I.; van Grondelle, R. Phys. Chem. Chem. Phys. 2010, 12, 7352-7365
5. Milder, M. T.; Brüggemann, B.; van Grondelle, R.; Herek, J. L. Photosynth. Res. 2010, 104, 257-264
6. Matthews, B. W.; Fenna, R. E.; Bolognesi, M. C.; Schmid, M. F.; Olson, J. M. J. Mol. Biol. 1979, 131, 259-265
7. Tronrud, D. E.; Schmid, M. F.; Matthews, B. W. J. Mol. Biol. 1986, 188, 443-444
8. Tronrud, D. E.; Wen, J.; Gay, L.; Blankenship, R. E. Photosynth. Res. 2009, 100, 79-87
9. Brixner, T.; Stenger, J.; Vaswani, H. M.; Cho, M.; Blankenship, R. E.; Fleming, G. R. Nature 2005, 434, 625-628
10. Engel, G. S.; Calhoun, T. R.; Read, E. L.; Ahn, T. K.; Mancal, T.; Cheng, Y. C.; Blankenship, R. E.; Fleming, G. R. Nature 2007, 446, 782-786
11. Panitchayangkoon, G.; Hayes, D.; Fransted, K. A.; Caram, J. R.; Harel, E.; Wen, J.; Blankenship, R. E.; Engel, G. S. Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 12766-12770
12. Collini, E.; Wong, C. Y.; Wilk, K. E.; Curmi, P. M.; Brumer, P.; Scholes, G. D. Nature 2010, 463, 644-647
13. Collini, E.; Scholes, G. D. Science 2009, 323, 369-373
14. Wolynes, P. G. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 17247-17248
15. Caruso, F.; Chin, A. W.; Datta, A.; Huelga, S. F.; Plenio, M. B. J. Chem. Phys. 2009, 131, 105106
16. Rebentrost, P.; Mohseni, M.; Aspuru-Guzik, A. J. Phys. Chem. B 2009, 113, 9942-9947
17. Nazir, A. Phys. Rev. Lett. 2009, 103, 146404
18. Fassioli, F.; Nazir, A.; Olaya-Castro, A. J. Phys. Chem. Lett. 2010, 1, 2139-2143
19. Nalbach, P.; Eckel, J.; Thorwart, M. New J. Phys. 2010, 12, 065043
20. Strümpfer, J.; Schulten, K. J. Chem. Phys. 2011, 134, 095102
21. Fleming, G. R.; Huelga, S.; Plenio, M. New J. Phys. 2010, 12, 065002
22. Abramavicius, D.; Mukamel, S. J. Chem. Phys. 2011, 134, 174504
23. Olbrich, C.; Kleinekathöfer, U. J. Phys. Chem. B 2010, 114, 12427-12437
24. Olbrich, C.; Strümpfer, J.; Schulten, K.; Kleinekathöfer, U. J. Phys. Chem. B 2011, 115, 758-764
25. Abramavicius, D.; Mukamel, S. J. Chem. Phys. 2010, 133, 064510
26. Dijkstra, A. G.; Jansen, T. L. C.; Knoester, J. J. Chem. Phys. 2008, 128, 164511
27. Damjanović, A.; Kosztin, I.; Kleinekathöfer, U.; Schulten, K. Phys. Rev. E 2002, 65, 031919
28. Walker, R. C.; Mercer, I. P.; Gould, I. R.; Klug, D. R. J. Comput. Chem. 2007, 28, 478-480
29. Zwier, M. C.; Shorb, J. M.; Krueger, B. P. J. Comput. Chem. 2007, 28, 1572-1581
30. Janosi, L.; Kosztin, I.; Damjanović, A. J. Chem. Phys. 2006, 125, 014903
31. Olbrich, C.; Liebers, J.; Kleinekathöfer, U. Phys. Status Solidi B 2011, 248, 393-398
32. Ridley, J.; Zerner, M. C. Theor. Chim. Acta 1973, 32, 111-134
33. Linnanto, J.; Korppi-Tommola, J. Phys. Chem. Chem. Phys. 2006, 8, 663-667
34. Madjet, M. E.; Abdurahman, A.; Renger, T. J. Phys. Chem. B 2006, 110, 17268-81
35. Renger, T. Photosynth. Res. 2009, 102, 471-485
36. Madjet, M. E.; Müh, F.; Renger, T. J. Phys. Chem. B 2009, 113, 12603-14
37. de Boeij, W. P.; Pshenichnikov, M. S.; Wiersma, D. A. Chem. Phys. Lett. 1996, 253, 53
38. Hamm, P.; Lim, M. H.; Hochstrasser, R. M. J. Phys. Chem. B 1998, 102, 6123
39. Ernst, R. R.; Bodenhausen, G.; Wokaun, A. Principles of nuclear magnetic resonance in one and two dimensions; Oxford University Press: New York, 1995.
40. Jansen, T. L. C.; Knoester, J. J. Phys. Chem. B 2006, 110, 22910-22916
41. Jansen, T. L. C.; Knoester, J. Acc. Chem. Res. 2009, 42, 1405-1411
42. Ishizaki, A.; Fleming, G. R. J. Chem. Phys. 2009, 130, 234111
43. Sharp, L. Z.; Egorova, D.; Domcke, W. J. Chem. Phys. 2010, 132, 014501
44. Palmieri, B.; Abramavicius, D.; Mukamel, S. Phys. Chem. Chem. Phys. 2010, 12, 108-114
45. Jansen, T. L. C.; Auer, B. M.; Yang, M.; Skinner, J. L. J. Chem. Phys. 2010, 132, 224503
46. Humphrey, W. F.; Dalke, A.; Schulten, K. J. Mol. Graph. 1996, 14, 33-38
47. Petrenko, T.; Neese, F. J. Chem. Phys. 2007, 127, 164319
48. Cory, M. G.; Zerner, M. C.; Hu, X.; Schulten, K. J. Phys. Chem. B 1998, 102, 7640-7650
49. Alden, R. G.; Johnson, E.; Nagarajan, V.; Law, W. W. P. J.; Cogdell, R. G. J. Phys. Chem. B 1997, 101, 4667-4680
50. Scholes, G. D.; Curutchet, C.; Mennucci, B.; Cammi, R.; Tomasi, J. J. Phys. Chem. B 2007, 111, 6978-6982
51. Vulto, S. I. E.; de Baat, M. A.; Louwe, R. J. W.; Permentier, H. P.; Neef, T.; Miller, M.; van Amerongen, H.; Aartsma, T. J. J. Phys. Chem. B 1998, 102, 9577-9582
52. Renger, T.; May, V. J. Phys. Chem. A 1998, 102, 4381-4391
53. Adolphs, J.; Renger, T. Biophys. J. 2006, 91, 2778-2787
54. Schmidt am Busch, M.; Müh, F.; Madjet, M. E.; Renger, T. J. Phys. Chem. Lett. 2011, 2, 93-98
55. Kobus, M.; Gorbunov, R. D.; Nguyen, P.; Stock, G. Chem. Phys. 2008, 347, 208-217
56. Zhu, H.; May, V.; Röder, B.; Renger, T. J. Chem. Phys. 2008, 128, 154905
57. Zhu, H.; Röder, B.; May, V. Chem. Phys. 2009, 362, 19-26
58. Deranleau, D. A. Experientia 1982, 38, 661-662
59. Paarmann, A.; Hayashi, T.; Mukamel, S.; Miller, R. J. D. J. Chem. Phys. 2009, 130, 204110
60. Abramavicius, D.; Palmieri, B.; Voronine, D. V.; Sanda, F.; Mukamel, S. Chem. Rev. 2009, 109, 2350-2358
61. Hochstrasser, R. M. Chem. Phys. 2001, 266, 273-284
62. Freiberg, A.; Lin, S.; Timpmann, K.; Blankenship, R. E. J. Phys. Chem. B 1997, 101, 7211-7220
63. Thouless, D. J. Phys. Rep 1974, 13, 93
64. Bakalis, L. D.; Knoester, J. J. Phys. Chem. B 1999, 103, 6620-6628
65. Woutersen, S.; Bakker, H. J. Nature 1999, 402, 507
66. Lin, Y.-S.; Pieniazek, P. A.; Yang, M.; Skinner, J. L. J. Chem. Phys. 2010, 132, 174505
67. Wen, J.; Zhang, H.; Gross, M. L.; Blankenship, R. E. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 6134-6139