Localized-density-matrix, segment-molecular-orbitals and poly(p-phenylenevinylene) aggregates

Journal of Chemical Physics

Volumn 111, Issue 23, 1999, Pages 10444-10451

  Yokojima, Satoshi ^a   Wang, XiuJun ^a   Zhou, DongHao ^a   Chen, GuanHua ^a  

^a UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001363271     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480432     Document Type: Article

References (67)

1. W. Yang, Phys. Rev. Lett. 66, 1438 (1991); W. Yang and T.-S. Lee, J. Chem. Phys. 103, 5674 (1995).
2. W. Yang, Phys. Rev. Lett. 66, 1438 (1991); W. Yang and T.-S. Lee, J. Chem. Phys. 103, 5674 (1995).
3. P. Cortona, Phys. Rev. B 44, 8454 (1991).
4. G. Galli and M. Parrinello, Phys. Rev. Lett. 69, 3547 (1992).
5. S. Baroni and P. Giannozzi, Europhys. Lett. 17, 547 (1992).
6. X.-P. Li, R. W. Nunes, and D. Vanderbilt, Phys. Rev. B 47, 10891 (1993).
7. F. Mauri, G. Galli, and R. Car, Phys. Rev. B 47, 9973 (1993).
8. P. Ordejón, D. A. Drabold, M. P. Grumbach, and R. M. Martin, Phys. Rev. B 48, 14646 (1993).
9. W. Kohn, Chem. Phys. Lett. 208, 167 (1993).
10. D. A. Drabold and O. F. Sankey, Phys. Rev. Lett. 70, 3631 (1993).
11. A. Gibson, R. Haydock, and J. P. LaFemina, Phys. Rev. B 47, 9229 (1993).
12. M. Aoki, Phys. Rev. Lett. 71, 3842 (1993).
13. E. B. Stechel, A. P. Williams, and P. J. Feibelman, Phys. Rev. B 49, 10088 (1994).
14. S. Goedecker and L. Colombo, Phys. Rev. Lett. 73, 122 (1994).
15. J. P. Stewart, Int. J. Quantum Chem. 58, 133 (1996).
16. E. Hernández and M. J. Gillan, Phys. Rev. B 51, 10157 (1995); E. Hernández, M. J. Gillan, and C. M. Goringe, ibid. 55, 13485 (1997).
17. E. Hernández and M. J. Gillan, Phys. Rev. B 51, 10157 (1995); E. Hernández, M. J. Gillan, and C. M. Goringe, ibid. 55, 13485 (1997).
18. M. C. Strain, G. E. Scuseria, and M. J. Frisch, Science 271, 51 (1996).
19. S. L. Dixon and K. M. Merz, Jr., J. Chem. Phys. 104, 6643 (1996).
20. E. Schwegler, M. Challacombe, and M. Head-Gordon, J. Chem. Phys. 106, 9708 (1997).
21. W. Yang, Phys. Rev. B 56, 9294 (1997).
22. For review, see S. Goedecker, Rev. Mod. Phys. 71, 1085 (1999).
23. S. Yokojima and G. H. Chen, Phys. Rev. B 59, 7259 (1999).
24. S. Yokojima and G. H. Chen, Chem. Phys. Lett. 292, 379 (1998).
25. A. Takahashi and S. Mukamel, J. Chem. Phys. 100, 2366 (1994).
26. H. Fukutome, J. Mol. Struct.: THEOCHEM 188, 337 (1989).
27. Z. G. Soos, S. Ramasesha, D. S. Galvão, and S. Etemad, Phys. Rev. B 47, 1742 (1993).
28. J. Del Bene and H. H. Jaffé, J. Chem. Phys. 48, 1807 (1968); 48, 4050 (1968).
29. J. Del Bene and H. H. Jaffé, J. Chem. Phys. 48, 1807 (1968); 48, 4050 (1968).
30. J. J. P. Stewart, J. Comput. Chem. 10, 209 (1989); 10, 221 (1989).
31. J. J. P. Stewart, J. Comput. Chem. 10, 209 (1989); 10, 221 (1989).
32. W. Z. Liang, X. J. Wang, S. Yokojima, and G. H. Chen (in preparation).
33. W. Z. Liang, S. Yokojima, and G. H. Chen, J. Chem. Phys. 110, 1844 (1999).
34. S. Yokojima and G. H. Chen, Chem. Phys. Lett. 300, 540 (1999).
35. S. Yokojima, D. H. Zhou, and G. H. Chen, Chem. Phys. Lett. 302, 495 (1999).
36. W. Z. Liang, S. Yokojima, D. H. Zhou, and G. H. Chen, J. Phys. Chem. (in press).
37. R. H. Friend, D. D. C. Bradley, and P. D. Townsend, J. Phys. D: Appl. Phys. 20, 1367 (1987).
38. U. Lemmer et al., Chem. Phys. Lett. 240, 373 (1995).
39. I. D. W. Samuel et al., Chem. Phys. Lett. 213, 472 (1993).
40. I. D. W. Samuel, G. Rumbles, and C. J. Collison, Phys. Rev. B 52, 11573 (1995).
41. I. D. W. Samuel et al., Chem. Phys. 227, 75 (1998).
42. P. Gomes da Costa, R. G. Dandrea, and E. M. Conwell, Phys. Rev. B 47, 1800 (1993).
43. H. A. Mizes and E. M. Conwell, Phys. Rev. B 50, 11243 (1994).
44. E. M. Conwell, Phys. Rev. B 57, 14200 (1998).
45. W. Graupner et al., Phys. Rev. Lett. 77, 2033 (1996).
46. J. Grüner et al., Adv. Mater. 6, 748 (1994).
47. S. A. Jenekhe and J. A. Osaheni, Science 265, 765 (1994).
48. M. Yan et al., Phys. Rev. Lett. 72, 1104 (1994).
49. E. S. Maniloff, V. I. Klimov, and D. W. McBranch, Phys. Rev. B 56, 1876 (1997).
50. U. Rauscher, H. Bässler, D. D. C. Bradley, and M. Hennecke, Phys. Rev. B 42, 9830 (1990).
51. R. J. O. M. Hoofman, M. P. de Haas, L. D. A. Siebbeles, and J. M. Warman, Nature (London) 392, 54 (1998).
52. E. L. Frankevich et al., Phys. Rev. B 46, 9320 (1992).
53. G. H. Gelinck, J. M. Warman, and E. G. J. Staring, J. Phys. Chem. 100, 5485 (1996).
54. T. Wagersreiter and S. Mukamel, Chem. Phys. 210, 171 (1996).
55. J. H. Burroughes et al., Nature (London) 347, 539 (1990).
56. G. Gustafsson et al., Nature (London) 357, 477 (1992).
57. K. Nishimoto and N. Mataga, Z. Phys. Chem., Neue Folge 12, 335 (1957).
58. S. Yokojima, T. Meier, and S. Mukamel, J. Chem. Phys. 106, 3837 (1997).
59. P. Ring and P. Schuck, The Nuclear Many-Body Problem (Springer, New York, 1980).
60. G. H. Chen and S. Mukamel, J. Am. Chem. Soc. 117, 4945 (1995).
61. S. Ismail-Beigi and T. A. Arias, Phys. Rev. Lett. 82, 2127 (1999).
62. D. A. Halliday et al., Synth. Met. 55-57, 954 (1993).
63. S. Yokojima, X. J. Wang, and G. H. Chen, Thin Solid Films (in press).
64. A. Imamura, Y. Aoki, and K. Maekawa, J. Chem. Phys. 95, 5419 (1991); Y. Kurihara, Y. Aoki, and A. Imamura, ibid. 107, 3569 (1997).
65. A. Imamura, Y. Aoki, and K. Maekawa, J. Chem. Phys. 95, 5419 (1991); Y. Kurihara, Y. Aoki, and A. Imamura, ibid. 107, 3569 (1997).
66. V. Magnasco and A. Perico, J. Chem. Phys. 47, 971 (1967); 48, 800 (1968).
67. V. Magnasco and A. Perico, J. Chem. Phys. 47, 971 (1967); 48, 800 (1968).