Large effect of dopant level on second hyperpolarizability of alkali-doped polyacetylene chains

Chemical Physics Letters

Volumn 412, Issue 1-3, 2005, Pages 217-222

  Spassova, Milena ^a,b   Champagne, Benoît ^b   Kirtman, Bernard ^c  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

^b UNIVERSITY OF NAMUR   (Belgium)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DONOR DOPANTS; HARTREE-FOCK CALCULATIONS; UNDOPED CHAINS;

DISSOCIATION; DOPING (ADDITIVES); ELECTROSTATICS; ORGANIC POLYMERS; POTASSIUM;

POLYACETYLENES;

EID: 23144433409     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.06.106     Document Type: Article

References (29)

1. H. Shirikawa, W.J. Louis, A.G. MacDiarmid, C.K. Chiang, and A.J. Heeger J. Chem. Commun. 16 1977 578
2. A.J. Heeger J. Phys. Chem. B 105 2001 8475
3. M.G. Kuzyk Phys. Rev. Lett. 85 2000 1218
4. Phys. Rev. Lett. E 90 2003 039902
5. C.P. de Melo, and R. Silbey Chem. Phys. Lett. 140 1987 537
6. C.P. de Melo, and R. Silbey J. Chem. Phys. 88 1988 2567
7. A. Villesuzanne, J. Hoarau, L. Ducasse, L. Olmedo, and P. Hourquebie J. Chem. Phys. 96 1992 495
8. M. Nakano, I. Shigemoto, S. Yamada, and K. Yamaguchi J. Chem. Phys. 103 1995 4175
9. C.P. de Melo, and T.L. Fonseca Chem. Phys. Lett. 261 1996 28
10. B. Champagne, E. Deumens, and Y. Öhrn J. Chem. Phys. 107 1997 5433
11. Z. An, and K.Y. Wong J. Chem. Phys. 114 2001 1010
12. L.N. Oliveira, O.A.V. Amaral, M.A. Castro, and T.L. Fonseca Chem. Phys. 289 2003 221
13. Z. An, and K.Y. Wong J. Chem. Phys. 119 2003 1019
14. M. Nakano, S. Yamada, M. Takahata, and K. Yamaguchi J. Phys. Chem. A 107 2003 4157
15. B. Champagne, M. Spassova, J.B. Jadin, and B. Kirtman J. Chem. Phys. 116 2002 3935
16. J.L. Brédas, R.R. Chance, and R. Silbey J. Phys. Chem. 85 1981 756
17. M. Winokur, Y.B. Moon, A.J. Heeger, J. Barker, D.C. Bott, and H. Shirakawa Phys. Rev. Lett. 58 1987 2329
18. N.S. Murthy, L.W. Shacklette, and R.H. Baughman Phys. Rev. B 40 1989 12550
19. R.H. Baughman, N.S. Murthy, and G.G. Miller J. Chem. Phys. 79 1983 515
20. V. Monev, M. Spassova, and B. Champagne Int. J. Quantum Chem. 104 2005 354
21. H.D. Cohen, and C.C.J. Roothaan J. Chem. Phys. 43 1965 S34
22. G.J.B. Hurst, M. Dupuis, and E. Clementi J. Chem. Phys. 89 1988 385
23. M.J. Frisch Gaussian-98, Revision A.11 1998 Gaussian, Inc. Pittsburgh, PA
24. G. Sun, J. Kürti, M. Kertesz, and R. Baughman J. Chem. Phys. 117 2002 7691
25. B. Champagne, and M. Spassova Phys. Chem. Chem. Phys. 6 2004 3167
26. B. Kirtman, J.L. Toto, K.A. Robins, and M. Hasan J. Chem. Phys. 102 1995 5350
27. J.L. Toto, T.T. Toto, C.P. de Melo, M. Hasan, and B. Kirtman Chem. Phys. Lett. 244 1995 59
28. B. Champagne, and B. Kirtman H.S. Nalwa Handbook of Advanced Electronic and Photonic Materials and Devices Nonlinear Optical Materials vol. 9 2001 Academic Press San Diego 63 (Chapter 2)
29. See, for example M. Torrent-Sucarrat, M. Sola, M. Duran, J.M. Luis, and B. Kirtman J. Chem. Phys. 120 2004 6346