Pseudo linear-dependence and long-range interaction effects on the polarizability and hyperpolarizabilities of stereoregular polymers

Chemical Physics Letters

Volumn 373, Issue 5-6, 2003, Pages 539-549

  Champagne, Benôt ^a,b   Jacquemin, Denis ^a   Gu, Feng Long ^b,c   Aoki, Yuriko ^c   Kirtman, Bernard ^d   Bishop, David M ^b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b UNIVERSITY OF OTTAWA   (Canada)

^c HIROSHIMA UNIVERSITY   (Japan)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037846139     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)00631-6     Document Type: Article

References (34)

1. Champagne B. Kirtman B. Nalwa H.S.(Ed.), Handbook of Advanced Electronic and Photonic Materials and Devices vol. 9 2001 63 Academic Press New York.
2. Champagne B. Perpète E.A. van Gisbergen S.J.A. Snijders J.G. Baerends E.J. Soubra-Ghaoui C. Robins K.A. Kirtman B. J. Phys. Chem. 109 1998 10489.
3. van Gisbergen S.J.A. Schipper P.R.T. Gritsenko O.V. Baerends E.J. Snijders J.G. Champagne B. Kirtman B. Phys. Rev. Lett. 83 1999 694.
4. Kirtman B. Gu F.L. Bishop D.M. J. Chem. Phys. 113 2000 1294.
5. Bishop D.M. Gu F.L. Kirtman B. J. Chem. Phys. 114 2001 7633.
6. Gu F.L. Bishop D.M. Kirtman B. J. Chem. Phys. 115 2001 10548.
7. Karna S.P. Dupuis M. J. Comput. Chem. 12 1991 487.
8. Gu F.L. Aoki Y. Bishop D.M. J. Chem. Phys. 117 2002 385.
9. Kirtman B. Champagne B. Gu F.L. Bishop D.M. Int. J. Quantum Chem. 90 2002 709.
10. Löwdin P.O. J. Chem. Phys. 18 1950 365.
11. Löwdin P.O. Rev. Mod. Phys. 39 1967 259.
12. Karpfen A. J. Chem. Phys. 75 1981 238.
13. Jacquemin D. Champagne B. Int. J. Quantum Chem. 80 2000 863.
14. Champagne B. André J.M. Int. J. Quantum Chem. 42 1992 1009.
15. Delhalle J. Piela L. Brédas J.L. André J.M. Phys. Rev. B 22 1980 6254.
16. Jacquemin D. Champagne B. André J.M. J. Chem. Phys. 111 1999 5306.
17. Jacquemin D. Champagne B. André J.M. J. Chem. Phys. 111 1999 5324.
18. Jacquemin D. Champagne B. Int. J. Quantum Chem. 85 2001 539.
19. Jacquemin D. André J.M. Champagne B. J. Chem. Phys. 118 2003 373.
20. Stolarczyk L.Z. Jeziorska M. Monkhorst H.J. Phys. Rev. B 37 1988 10644.
21. Jeziorska M. Stolarczyk L.Z. Paldus J. Monkhorst H.J. Phys. Rev. B 41 1990 12473.
22. Delhalle J. Cizek J. Flamant I. Calais J.L. Fripiat J.G. J. Chem. Phys. 101 1994 10717.
23. Delhalle J. Fripiat J.G. Harris F.E. Int. J. Quantum Chem. 90 2002 587.
24. Jacquemin D. Fripiat J.G. Champagne B. Int. J. Quantum Chem. 89 2002 452.
25. He L. Vanderbilt D. Phys. Rev. Lett. 86 2001 5341.
26. Taraskin S.N. Drabold D.A. Elliott S.R. Phys. Rev. Lett. 88 2002 196405.
27. Jacquemin D. Champagne B. André J.M. Deumens E. Öhrn Y. J. Comput. Chem. 23 2002 1430.
28. André, J.M. Mosley, D.H. Champagne, B. Delhalle, J. Fripiat, J.G. Brédas, J.L. Vanderveken, D.J. Vercauteren, D.P. PLH-93, in: E. Clementi (Ed.), Methods and Techniques in Computational Chemistry: METECC-94, vol. B, STEF, Cagliari, 1993, p. 423 (Chapter 10)
29. L.N.G. Filon, Proc. Roy. Soc. Edinb. 49 (1928-1929) 38
30. Chase S.M. Fosdick L.D. Commun. ACM 12 1969 453.
31. F.L. Gu, PERIODIC Program Package, Department of Chemistry, University of Ottawa, Ottawa, Canada
32. Perpète E.A. Champagne B. J. Mol. Struct. (THEOCHEM) 487 1999 39.
33. Gu, F.L. Aoki, Y. Kirtman, B. Bishop D.M. (unpublished results)
34. Champagne B. André J.M. Nonlinear Opt. 9 1995 25.