Ab initio configuration interaction description of excitation energy transfer between closely packed molecules

Chemical Physics

Volumn 343, Issue 2-3, 2008, Pages 353-361

  Fink, R F ^a   Pfister, J ^a   Schneider, A ^a   Zhao, H ^a   Engels, B ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

Ab initio calculations; Excitation energy transfer; Resonance energy transfer; Transition density

Indexed keywords

EID: 38849139785     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.08.021     Document Type: Article

References (70)

1. van Grondelle R., Dekker J.P., Gillbro T., and Sundström V. Biochim. Biophys. Acta 1187 1 (1994) 1
2. Sundström V., Pullertis T., and van Grondelle R. J. Phys. Chem. B 103 (1999) 2327
3. Scholes G.D., and Fleming G.R. J. Phys. Chem. B 104 (2000) 1854
4. Shreve A.P., Trautman J.K., Frank H.A., Owens T.G., and Albrecht A.C. Biochim. Biophys. Acta 1058 (1991) 280
5. Jimenez R., Dikshit S.N., Bradforth S.E., and Fleming G.R. J. Phys. Chem. 100 (1996) 6925
6. Visser H.M., Kleima F.J., van Stokkum I.H.M., van Grondelle R., and van Amerongen H. Chem. Phys. 210 (1996) 297
7. Kleinekathofer U., and Schulten A. Phys. Rev. E 65 (2002) 031919
8. Berg J.M., Tymoczko J.L., and Stryer L. Biochemistry (2002), W.H. Freeman and Company, New York
9. Halls J.J., Walsh C.A., Greenham N.C., Marseglia E.A., Friend R.H., Moratti S.C., and Holmes A.B. Nature 376 (1995) 498
10. Sariciftci N.S., Smilowitz L., Heeger A.J., and Wudl F. Science 258 (1992) 1474
11. Yu G., Gao J., Hummelen J.C., Wudl F., and Heeger A.J. Science 270 (1995) 1789
12. List E.W.J., Holzer L., Tasch S., Leising G., Scherf U., Müllen K., Catellani M., and Luzzati S. Solid State Commun. 109 (1999) 455
13. Lee J.-I., Kang I.-N., Hwang D.-H., Shim H.-K., C-Jeoung S., and Kim D. Chem. Mater. 8 (1996) 1925
14. Wang H.-L., McBranch D., Klimov V.I., Helgerson R., and Wudl F. Chem. Phys. Lett. 315 (1999) 173
15. Rispens M.T., Sanchez L., Knol J., and Hummelen J.C. Chem. Commun. 163 2 (2001) 161
16. Sanchez L., Rispens M.T., and Hummelen J.C. Angew. Chem. 41 (2002) 838
17. El-Ghayoury A., Schenning A.P.H.J., van Hal P.A., van Duren J.K.J., Janssen R.A.J., and Meijer E.W. Angew. Chem. 40 (2001) 3660
18. El-Ghayoury A., Peeters E., Schenning A.P.H.J., and Meijer E.W. Chem. Commun. 19 (2000) 1969
19. Schenning A.P.H.J., Jonkheijm P., Peeters E., and Meijer E.W. J. Am. Chem. Soc. 123 (2001) 409
20. Beckers E.H.A., van Hal P.A., and Schenning A.P.H.J. J. Mater. Chem. 12 (2002) 2054
21. Herz L.M., Daniel C., Silva C., Hoeben F.J.M., Schenning A.P.H.J., Meijer E.W., Friend R.H., and Phillips R.T. Phys. Rev. B 68 (2003) 045203
22. Förster T. Ann. Phys. 2 6 (1948) 55
23. Eisenschlitz R., and London F. Z. Phys. 60 (1930) 491
24. Hennebicq E., Pourtois G., Scholes G.D., Herz L.M., Russell D.M., Silva C., Setayesh S., Grimsdale A.C., Müllen K., Brédas J.-L., and Beljonne D. J. Am. Chem. Soc. 127 (2005) 4744
25. May V., and Kühn O. Charge and Energy Transfer Dynamics in Molecular Systems (2000), Wiley, Berlin
26. Andrews D.L. Chem. Phys. 135 (1989) 195
27. Lin S.H., Ziao W.Z., and Dietz W. Phys. Rev. E 47 (1993) 3698
28. Lin S.H. Mol. Phys. 21 (1971) 853
29. Scholes G.D., and Harcourt R.D. J. Chem. Phys. 104 (1996) 5054
30. Scholes G.D., and Ghiggino K.P. J. Chem. Phys. 101 2 (1994) 1251.
31. Harcourt R.D., Scholes G.D., and Ghiggino K.P. J. Chem. Phys. 101 12 (1994) 10521.
32. Scholes G.D., Harcourt R.D., and Ghiggino K.P. J. Chem. Phys. 102 24 (1995) 9574.
33. Krueger B.P., Scholes G.D., and Fleming G.R. J. Phys. Chem. B 102 (1998) 5378
34. Scholes G.D., and Fleming G.R. Adv. Chem. Phys. 132 (2005) 57
35. Doust A.B., Wilk K.E., Curmi P.M.G., and Scholes G.D. J. Photochem. Photobiol. A: Chem. 184 (2006) 1
36. Ridley J., and Zerner M.C. Theor. Chim. Acta 32 (1973) 111
37. Russo V., Curutchet C., and Mennucci B. J. Phys. Chem. B 111 (2007) 853
38. Newton M.D. Chem. Rev. 91 (1991) 767
39. Speiser S. Chem. Rev. 96 (1996) 1953
40. Scholes G.D. Annu. Rev. Phys. Chem. 54 (2003) 57
41. Clayton A.H.A., Scholes G.D., Ghiggino K.P., and Paddon-Row M.N. J. Phys. Chem. 100 (1996) 10912
42. Pettersson K., Kyrychenko A., Rönnow E., Ljungdahl T., Martensson J., and Albinsson B. J. Phys. Chem. A 110 (2006) 319
43. Brédas J.-L., Pourtois G., Beljonne D., Moucheron C., Schumm S., Mesmaeker A.K.-D., and Lazzaroni R. J. Am. Chem. Soc. 126 (2004) 683
44. Anand S., Varnavski O., Marsden J.A., Haley M.M., Schlegel H.B., and Goodson III T. J. Phys. Chem. A 110 (2006) 1305
45. Casida M., Jamorski C., Casida K.C., and Salahub D.R. J. Chem. Phys. 108 (1998) 4439
46. Stratmann R.E., Scuseria G.E., and Frisch M.J. J. Chem. Phys. 109 (1998) 8218
47. Hsu C.-P., Hirata S., and Head-Gordon M. J. Phys. Chem. A 105 (2001) 451
48. Cai Z.-L., Sendt K., and Reimers J.R. J. Chem. Phys. 117 (2002) 5543
49. Dreuw A., and Head-Gordon M. J. Am. Chem. Soc. 126 (2004) 4007
50. Furche F., Ahlrichs R., Sobanski A., Vögtle C.W.F., Grimme W.E., and Grimme S. J. Am. Chem. Soc. 122 (2000) 1717
51. Dreuw A., Dunietz B.D., and Head-Gordon M. J. Am. Chem. Soc. 124 (2002) 12070
52. Suter H.U., Pleß V., Ernzerhof M., and Engels B. Chem. Phys. Lett. 230 (1994) 398
53. Suter H.U., and Engels B. J. Chem. Phys. 100 (1994) 2936
54. Engels B., Schoneboom J., Munster A., Groetsch S., and Christl M. J. Am. Chem. Soc. 124 2 (2002) 287
55. Dexter D.L. J. Chem. Phys. 21 5 (1953) 836.
56. Pless V., Suter H.U., and Engels B. J. Chem. Phys. 101 (1994) 4042
57. Peric M., Ostojic B., and Engels B. J. Chem. Phys. 105 (1996) 8569
58. Engels B., Peric M., Reuter W., Peyerimhoff S.D., and Grein F. J. Chem. Phys. 96 (1992) 4526
59. Schmittel M., Steffen J.P., Engels B., Lennartz C., and Hanrath M. Angew. Chem., Int. Ed. 37 (1998) 2371
60. Adam W., Bottke N., Engels B., and Krebs O. J. Am. Chem. Soc. 123 (2001) 5542
61. Engels B. Theor. Chim. Acta 86 (1993) 429
62. Engels B. J. Chem. Phys. 100 (1994) 1380
63. Boys S.F. Localized orbitals and localized adjustment functions. In: Löwdin P.-O. (Ed). Quantum Theory of Atoms, Molecules and the Solid State (1966), Academic Press, New York 253
64. Karlström G., Lindh R., Malmqvist P., Roos B.O., Ryde U., Veryazov V., Widmark P., Cossi M., Schimmelpfennig B., Neogrady P., and Seijo L. Comput. Mat. Sci. 28 (2003) 222
65. Widmark P.-O., Malmqvist P.-Å., and Roos B.O. Theor. Chim. Acta 77 5 (1990) 291
66. Huber K.P., and Herzberg G. Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules (1979), Van Nostrand, New York
67. Park Y.C., and Lee J.S. Bull. Korean Chem. Soc. 26 (2005) 1421
68. Brookes M.D., and McKellar A.R.W. J. Chem. Phys. 111 (1999) 7321
69. Chen Z., Stepanenko V., Dehm V., Prins P., Siebbeles L.D.A., Seibt J., Marquetand P., Engel V., and Würthner F. Chem. Eur. J. 13 (2007) 436
70. Amthor S., and Lambert C. J. Phys. Chem. A 110 10 (2006) 3495.