Multiscale modeling of electronic excitations in branched conjugated molecules using an exciton scattering approach

Physical Review Letters

Volumn 100, Issue 5, 2008, Pages

  Wu, Chao ^a   Malinin, Sergey V ^a   Tretiak, Sergei ^b   Chernyak, Vladimir Y ^a  

^a WAYNE STATE UNIVERSITY   (United States)

^b CENTER FOR NONLINEAR STUDIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON SCATTERING; ELECTRONIC STATES; MOLECULAR DYNAMICS; QUANTUM THEORY;

CONJUGATED PHENYLACETYLENE; EXCITON SCATTERING; TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY (TD DFT);

EXCITATION ENERGY;

EID: 38949104209     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.100.057405     Document Type: Article

References (19)

1. S. Grimme, Rev. Comput. Chem. RCCHEY 1069-3599 20, 153 (2004). 10.1002/0471678856.ch3
2. A. Dreuw and M. Head-Gordon, Chem. Rev. 105, 4009 (2005). CHREAY 0009-2665 10.1021/cr0505627
3. C. Wu, S.V. Malinin, S. Tretiak, and V.Y. Chernyak, Nature Phys. 2, 631 (2006). NPAHAX 1745-2481 10.1038/nphys389
4. G.D. Scholes and G. Rumbles, Nat. Mater. NMAACR 1476-1122 5, 683 (2006). 10.1038/nmat1710
5. J.L. Brédas, J. Cornil, D. Beljonne, D.A. dos Santos, and Z. Shuai, Acc. Chem. Res. 32, 267 (1999). ACHRE4 0001-4842 10.1021/ar9800338
6. S. Tretiak, A. Saxena, R.L. Martin, and A.R. Bishop, Phys. Rev. Lett. 89, 097402 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.89.097402
7. S.L. Gilat, A. Adronov, and J.M.J. Frechet, Angew. Chem., Int. Ed. Engl. ACIEAY 0570-0833 38, 1422 (1999). 10.1002/(SICI)1521-3773(19990517)38: 10<1422::AID-ANIE1422>3.0.CO;2-V
8. D. Gust, T.A. Moore, and A.L. Moore, Acc. Chem. Res. 34, 40 (2001). ACHRE4 0001-4842 10.1021/ar9801301
9. V. Percec, Nature (London) NATUAS 0028-0836 419, 384 (2002). 10.1038/nature01072
10. T.G. Goodson, Acc. Chem. Res. 38, 99 (2005). ACHRE4 0001-4842 10.1021/ar020247w
11. R. Kopelman, M. Shortreed, Z.-Y. Shi, W. Tan, Z. Xu, J.S. Moore, A. Bar-Haim, and J. Klafter, Phys. Rev. Lett. 78, 1239 (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.78.1239
12. Z.H. Peng, Y.C. Pan, B.B. Xu, and J.H. Zhang, J. Am. Chem. Soc. 122, 6619 (2000). JACSAT 0002-7863 10.1021/ja0006907
13. J.S. Melinger, Y.C. Pan, V.D. Kleiman, Z.H. Peng, B.L. Davis, D. McMorrow, and M. Lu, J. Am. Chem. Soc. 124, 12002 (2002). JACSAT 0002-7863 10.1021/ja020380j
14. V. Chernyak, S.N. Volkov, and S. Mukamel, Phys. Rev. Lett. 86, 995 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.86.995
15. See EPAPS Document No. E-PRLTAO-100-024805 for details. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
16. M.E. Casida, in Recent Advances in Density-Functional Methods, edited by, D.A. Chong, (World Scientific, Singapore, 1995), Part A, Vol. 3.
17. M.J. Frisch, Gaussian 03, Revision D.02 (Gaussian, Inc., Wallingford, CT, 2004).
18. S. Tretiak, K. Igumenshchev, and V. Chernyak, Phys. Rev. B PRBMDO 0163-1829 71, 033201 (2005). 10.1103/PhysRevB.71.033201
19. M. van Faassen, P.L. de Boeij, R. van Leeuwen, J.A. Berger, and J.G. Snijders, Phys. Rev. Lett. 88, 186401 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.88.186401