Curvature versus nuclear relaxation contributions to the static vibrational polarizability of polyacetylene chains

Chemical Physics Letters

Volumn 248, Issue 5-6, 1996, Pages 301-308

  Champagne, Benoît ^a   Vanderhoeven, Hervé ^a   Perpète, Éric A ^a   André, Jean Marie ^a  

^a UNIVERSITY OF NAMUR   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030593026     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(95)01296-6     Document Type: Article

References (30)

1. [1] D.S. Chemla and J. Zyss, eds., Organic materials for nonlinear optics, Vols. I and II (Academic Press, New York, 1987).
2. [2] P. Prasad and D.J. Williams, Introduction to nonlinear optical effects in molecules and polymers (Wiley, New York, 1991).
3. [3] J.M. André and J. Delhalle, Chem. Rev. 91 (1991) 843.
4. [4] C.E. Dykstra, J. Chem. Educ. 65 (1988) 198.
5. [5] D.M. Bishop, Rev. Mod. Phys. 62 (1990) 343.
6. [6] B. Kirtman and D.M. Bishop, Chem. Phys. Letters 175 (1990) 601.
7. [7] D.M. Bishop and B. Kirtman, J. Chem. Phys. 95 (1991) 2646.
8. [8] D.M. Bishop and B. Kirtman, J. Chem. Phys. 97 (1992) 5255.
9. [9] B. Kirtman and M. Hasan, J. Chem. Phys. 96 (1992) 470.
10. [10] D.M. Bishop, B. Kirtman, H.A. Kurtz and J.E. Rice, J. Chem. Phys. 98 (1993) 8024.
11. [11] D.M. Bishop, J. Pipin and B. Kirtman, J. Chem. Phys. 102 (1995) 6778.
12. [12] D.M. Bishop, M. Hasan and B. Kirtman, J. Chem. Phys. 103 (1995) 4157.
13. [13] J. Martí, J.L. Andrés, J. Bertrán and M. Duran, Mol. Phys. 80 (1993) 625.
14. [14] J.L. Andrès, J. Bertrán, M. Duran and J. Martí, J. Phys. Chem. 98 (1994) 2803.
15. [15] J.L. Andrès, J. Bertrán, M. Duran and J. Martí, Intern. J. Quantum Chem. 52 (1994) 9.
16. [16] J.M. Luis, J. Martí, M. Duran and J.L. Andrès, J. Chem. Phys. 102 (1995) 7573.
17. [17] J. Martí and D.M. Bishop, J. Chem. Phys. 99 (1993) 3860.
18. [18] M.J. Cohen, A. Willetts, R.D. Amos and N.C. Handy, J. Chem. Phys. 100 (1994) 467.
19. [19] B. Champagne, E. Perpète and J.M. André, J. Chem. Phys. 101 (1994) 10796.
20. [20] B. Champagne, E. Perpète, J.M. André and B. Kirtman, J. Chem. Soc. Faraday Trans. 91 (1995) 1641.
21. [21] B. Kirtman, B. Champagne and J.M. André, submitted for publication.
22. [22] W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56 (1972) 2257.
23. [23] M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. DeFrees, J. Baker, J.J.P. Stewart and J.A. Pople, GAUSSIAN 92 (Carnegie-Mellon University, Pittsburgh, 1992).
24. [24] M. Duran, J.L. Andrès, A. Lledos and J. Bertran, J. Chem. Phys. 90 (1989) 328.
25. [25] J.L. Andrès, private communication.
26. [26] H. Rutihauser, Numer. Mathematic 5 (1963) 48.
27. [27] G.J.B. Hurst, M. Dupuis and E. Clementi, J. Chem. Phys. 89 (1988) 385.
28. [28] B. Kirtman, J.L. Toto, K.A. Robins and M. Hasan, J. Chem. Phys. 102 (1995) 5350.
29. [29] B. Champagne, D.H. Mosley and J.M. André, Intern. J. Quantum Chem. S27 (1993) 667.
30. [30] B. Champagne, unpublished results.