Calculations of the third-order nonlinear optical responses in push-pull chromophores with a time-dependent density functional theory

Chemical Physics Letters

Volumn 392, Issue 4-6, 2004, Pages 444-451

  Kobko, Nadya ^a,b   Masunov, Artëm ^a   Tretiak, Sergei ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CHROMATOPHORE; CONJUGATION; DENSITY FUNCTIONAL THEORY; MATHEMATICAL ANALYSIS; MOLECULE; NONLINEAR SYSTEM; OPTICS; PERFORMANCE; POLARIZATION; TIME;

EID: 3042581962     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.05.078     Document Type: Article

References (35)

1. Kishida H., Matsuzaki H., Okamoto H., Manabe T., Yamashita M., Taguchi Y., Tokura Y. Nature. 405:2000;929
2. Moore E.E., Yaron D. J. Phys. Chem. A. 106:2002;5339
3. Cumpston B.H., et al. Nature. 398:1999;51
4. Shen Y.Z., Swiatkiewicz J., Jakubczyk D., Xu F.M., Prasad P.N., Vaia R.A., Reinhardt B.A. Appl. Opt. 40:2001;938
5. Kawata S., Kawata Y. Chem. Rev. 100:2000;1777
6. Dietz N., Madarasz F.L. Mat. Sci. Eng. B. 97:2003;182
7. Pons T., Moreaux L., Mongin O., Blanchard-Desce M., Mertz J. J. Biomed. Opt. 8:2003;428
8. Silly M.G., Porres L., Mongin O., Chollet P.A., Blanchard-Desce M. Chem. Phys. Lett. 379:2003;74
9. Spangler C.W. J. Mat. Chem. 9:1999;2013
10. Bauer C., Schnabel B., Kley E.B., Scherf U., Giessen H., Mahrt R.F. Adv. Mat. 14:2002;673
11. Konig K. J. Microsc.-Oxford. 200:2000;83
12. Zipfel W.R., Williams R.M., Christie R., Nikitin A.Y., Hyman B.T., Webb W.W. Proc. Natl. Acad. Sci. USA. 100:2003;7075
13. Kanis D.R., Ratner M.A., Marks T.J. Chem. Rev. 94:1994;195
14. Brédas J.L., Adant C., Tackx P., Persoons A., Pierce B.M. Chem. Rev. 94:1994;243
15. Cook D.B. Handbook of Computational Quantum Chemistry. 1998;Oxford University Press, New York
16. Albota M., et al. Science. 281:1998;1653
17. Rumi M., et al. J. Am. Chem. Soc. 122:2000;9500
18. Heflin J.R., Wong K.Y., Zamanikhamiri O., Garito A.F. Phys. Rev. B. 38:1988;1573
19. Runge E., Gross E.K.U. Phys. Rev. Lett. 52:1984;997
20. Casida M.E. Chong D.A. Recent Advances in Density-Functional Methods, Part I. vol. 3:1995;World Scientific, Singapore
21. Casida M.E., Jamorski C., Casida K.C., Salahub D.R. J. Chem. Phys. 108:1998;4439
22. Furche F., Ahlrichs R. J. Chem. Phys. 117:2002;7433
23. Salek P., Vahtras O., Guo J.D., Luo Y., Helgaker T., Agren H. Chem. Phys. Lett. 374:2003;446
24. Berman O., Mukamel S. Phys. Rev. A. 67:2003;42503
25. Tretiak S., Chernyak V. J. Chem. Phys. 119:2003;8809
26. Masunov A.M., Tretiak S. J. Phys. Chem. B. 108:2004;899
27. Bartholomew G.P., Rumi M., Pond S.J.K., Perry J.W., Tretiak S., Bazan G.C. J. Am. Chem. Soc. 2004;. (ASAP)
28. Alain V., Redoglia S., Blanchard-Desce M., Lebus S., Lukaszuk K., Wortmann R., Gubler U., Bosshard C., Gunter P. Chem. Phys. 245:1999;51
29. Orr B.J., Ward J.F. Mol. Phys. 20:1971;513
30. Tretiak S., Mukamel S. Chem. Rev. 102:2002;3171
31. Becke A.D. J. Chem. Phys. 98:1993;5648
32. Frisch M.J., et al. GAUSSIAN 98 (Revision A.11). 2002;Gaussian, Inc. Pittsburgh, PA
33. Cossi M., Barone V. J. Chem. Phys. 115:2001;4708
34. Zojer E., Beljonne D., Kogej T., Vogel H., Marder S.R., Perry J.W., Bredas J.L. J. Chem. Phys. 116:2002;3646
35. Tozer D.J. J. Chem. Phys. 119:2003;12697