Modeling two photon absorption cross sections of open-shell systems

Journal of Chemical Physics

Volumn 130, Issue 1, 2009, Pages

  Jha, Prakash Chandra ^a   Rinkevicius, Zilvinas ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; DENSITY FUNCTIONAL THEORY; HYBRID MATERIALS; NITROGEN COMPOUNDS; PHOTONS;

CORRELATION FUNCTIONAL; CROSS SECTIONS; FUNCTIONAL RESPONSES; PARAMAGNETIC COMPOUNDS; SEXTET STATES; SPIN MULTIPLICITIES; SPIN STATES; TWO PHOTONS; TWO-PHOTON ABSORPTIONS;

SPIN DYNAMICS;

FREE RADICAL; PYRROLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MAGNETISM; PHOTON;

FREE RADICALS; MAGNETICS; MODELS, MOLECULAR; PHOTONS; PYRROLES;

EID: 58149502292     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3054708     Document Type: Article

References (33)

1. G. S. He, L. -S. Tan, Q. Zheng, and P. N. Prasad, Chem. Rev. (Washington, D.C.) 0009-2665 10.1021/cr050054x 108, 1245 (2008).
2. Y. Morel, A. Irimia, P. Najechalski, Y. Kervella, O. Stephan, P. Baldeck, and C. Andraud, J. Chem. Phys. 0021-9606 10.1063/1.1351160 114, 5391 (2001).
3. T. C. Lin, G. S. He, P. N. Prasad, and L. S. Tan, J. Mater. Chem. 0959-9428 10.1039/b313185h 14, 982 (2004).
4. D. A. Parthenopoulos and P. M. Rentzepis, Science 0036-8075 10.1126/science.245.4920.843 245, 843 (1989).
5. A. Gorman, J. Kiloran, C. O'Shea, T. Kenna, W. M. Gallagher, and D. F. O'Shea, J. Am. Chem. Soc. 0002-7863 10.1021/ja047649e 126, 10619 (2004).
6. A. Abbotto, L. Beverina, R. Bozio, S. Bradamante, C. Ferrante, G. Pagani, and R. Signorini, Adv. Mater. (Weinhein, Ger.) 12, 1963 (2000). 0935-9648
7. T. Kogej, D. Beljonne, F. Meyers, J. W. Perry, S. R. Marder, and J. L. Bredas, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)01196-8 298, 1 (1998).
8. G. S. He, L. X. Yuan, N. Cheng, J. D. Bhawalkar, P. N. Prasad, L. L. Brott, S. J. Clarson, and B. A. Reinhardt, J. Opt. Soc. Am. B 14, 1079 (1997). 0740-3224
9. M. Rumi, J. E. Ehrlich, A. A. Heikal, J. W. Perry, S. Barlow, Z. Hu, D. McCord-Maughon, T. C. Parker, H. Rockel, S. Thayumanavan, S. R. Marder, D. Beljonne, and J. L. Bredas, J. Am. Chem. Soc. 0002-7863 10.1021/ja994497s 122, 9500 (2000).
10. E. Zojer, D. Beljonne, P. Pacher, and J. L. Bredas, Chem.-Eur. J. 0947-6539 10.1002/chem.200305650 10, 2668 (2004).
11. M. Albota, D. Beljonne, J. L. Bredas, J. E. Ehrlich, J. Fu, A. A. Heikal, S. E. Hess, T. Kogej, M. D. Levin, S. R. Marder, D. McCord-Maughon, J. W. Perry, H. Rockel, M. Rumi, G. Subramaniam, W. W. Webb, X. Wu, and C. Xu, Science 0036-8075 10.1126/science.281.5383.1653 281, 1653 (1998).
12. M. Barzoukas and M. Blanchard-Desce, J. Chem. Phys. 0021-9606 10.1063/1.1288367 113, 3951 (2000).
13. W. H. Lee, H. Lee, J. A. Kim, J. H. Choi, M. H. Cho, S. J. Jeon, and B. R. Cho, J. Am. Chem. Soc. 0002-7863 10.1021/ja004226d 123, 10658 (2001).
14. D. Beljonne, W. Wenseleers, E. Zojer, Z. Shuai, H. Vogel, S. J. K. Pond, J. W. Perry, S. R. Marder, and J. L. Bredas, Adv. Funct. Mater. 1616-301X 10.1002/1616-3028(20020916)12:9<631::AID-ADFM631>3.0.CO;2-W 12, 631 (2002).
15. A. Karotki, M. Drobizhev, Y. Dzenis, P. N. Taylor, H. L. Anderson, and A. Rebane, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b313399k 6, 7 (2004).
16. M. Drobizhev, Y. Stepanenko, Y. Dzenis, A. Karotki, A. Rebane, P. N. Taylor, and H. L. Anderson, J. Am. Chem. Soc. 0002-7863 10.1021/ja0445847 126, 15352 (2004).
17. X. Zhou, A. M. Ren, J. K. Feng, and X. J. Liu, J. Mol. Struct. THEOCHEM 679, 157 (2004). 0166-1280
18. A. Adronov, J. M. J. Frechet, G. S. He, K. S. Kim, S. J. Chung, J. Swiatkiewicz, and P. N. Prasad, Chem. Mater. 0897-4756 10.1021/cm000586o 12, 2838 (2000).
19. K. Kamada, K. Ohta, T. Kubo, A. Shimizu, Y. Morita, K. Nakasuji, R. Kishi, S. Ohta, S. Furukawa, H. Takahashi, and M. Nakano, Angew. Chem., Int. Ed. Engl. 46, 3544 (2007). 0570-0833
20. Z. Rinkevicius, I. Tunell, P. Salek, O. Vahtras, and H. Ågren, J. Chem. Phys. 0021-9606 10.1063/1.1577329, 119, 34 (2003).
21. O. Vahtras and Z. Rinkevicius, J. Chem. Phys. 0021-9606 10.1063/1.2566733 126, 114101 (2007).
22. W. J. Meath and E. A. Power, J. Phys. B 17, 763 (1984). 0022-3700
23. Z. Rinkevicius, I. Tunell, P. Saek, O. Vahtras, and H. Ågren, J. Chem. Phys. 0021-9606 10.1063/1.1577329 119, 34 (2003).
24. Z. Rinkevicius, P. C. Jha, C. I. Oprea, O. Vahtras, and H. Ågren, J. Chem. Phys. 0021-9606 10.1063/1.2768357 127, 114101 (2007).
25. M. J. Frisch, G. W. Trucks, and H. B. Schlegel,; GAUSSIAN 03, Revision B05, Gaussian Inc., Pittsburgh, PA, 2003.
26. DALTON, a molecular electronic structure program, Release 2.0 (development version), see http://www.kjemi.uio.no/software/dalton/dalton.html.
27. A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
28. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
29. S. J. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980). 0008-4204
30. A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993).
31. A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464304 98, 1372 (1993).
32. M. Nakano, R. Kishi, N. Nakagawa, S. Ohta, H. Takahashi, S. Furukawa, K. Kamada, K. Ohta, B. Champagne, E. Botek, S. Yamada, and K. Yamaguchi, J. Phys. Chem. A 1089-5639 10.1021/jp056672z 110, 4238 (2006).
33. Y. Qiu, H. Fan, S. Sun, C. Liu, and Z. Su, J. Phys. Chem. A 112, 83 (2008). 1089-5639