Comparison of density matrix renormalization group calculations with electron-hole models of exciton binding in conjugated polymers

Journal of Chemical Physics

Volumn 108, Issue 17, 1998, Pages 7451-7458

  Yaron, David ^a   Moore, Eric E ^a   Shuai, Z ^b   Bredas J L ^b  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b UNIVERSITY OF MONS   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000867432     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476165     Document Type: Article

References (48)

1. A. J. Heeger, S. Kivelson, J. R. Schrieffer, and W. P. Su, Rev. Mod. Phys. 60, 781 (1988).
2. E. M. Conwell and H. A. Mizes, Phys. Rev. Lett. 70, 1505 (1993).
3. I. Ohmine, M. Karplus, and K. Schulten, J. Chem. Phys. 68, 2298 (1978).
4. Z. G. Soos. S. Ramaesha, and D. S. Galvao, Phys. Rev. Lett. 71, 1609 (1993).
5. S. Mazumdar and F. Guo, J. Chem. Phys. 100, 1665 (1994).
6. M. Kertesz, Chem. Phys. 44, 349 (1979).
7. T. Hasegawa, Y. Iwasa, H. Sunamura, T. Koda, Y. Tokura, H. Tachibana, M. Matsumoto, and S. Abe, Phys. Rev. Lett. 69, 668 (1992).
8. D. Yaron and R. Silbey, Phys. Rev. B 45, 11655 (1992).
9. S. R. White, Phys. Rev. Lett. 69, 2863 (1992).
10. S. R. White, Phys. Rev. B 48, 10345 (1993).
11. S. Ramesesha, S. K. Pati, H. R. Krishnamurthy, Z. Shuai, and J. L. Bredas, Phys. Rev. B 54, 7598 (1996).
12. Z. Shuai, S. K. Pati, W. P. Su, J. L. Bredas, and S. Ramasesha, Phys. Rev. B 55, 15368 (1997).
13. Z. Shuai, S. K. Pati, J. L. Bredas, and S. Ramaesha, Synth. Met. 85, 1011 (1997).
14. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart, J. Am. Chem. Soc. 107, 3902 (1985).
15. J. Ridley and M. Zerner, Theor. Chim. Acta 32, 111 (1973).
16. R. Knox, Theory of Excitons, Solid State Physics: Supplement 5 (Academic, New York, 1963).
17. D. J. Rowe, Rev. Mod. Phys. 40, 153 (1968).
18. pqjk gives, results that are not invariant with respect to changes in the phase of the molecular orbitals.)
19. W. von Niessen, J. Schirmet, and L. S. Cederbaum, Comput. Phys. Rep. 1. 57 (1984).
20. J. Oddershede, P. Jorgensen, and D. L. Yeager, Comput. Phys. Rep. 2. 33 (1984).
21. J. Oddershede and J. R. Sabin, Int. J. Quantum Chem. 34. 371 (1991).
22. J. L. Bredas, J. Cornil, and A. Heeger, Adv. Mater. 8, 447 (1996).
23. G. Gustafsson, Y. Cao, G. M. Treacy, F. Klavetter, N. Colaneri, and A. J. Heeger, Nature (London) 357, 477 (1992).
24. N. C. Greenham, S. C. Morattl, D. D. C. Bradley, R. H. Friend, and A. B. Holmes, Nature (London) 365, 628 (1993).
25. K. Lochner, H. Bassaler, B. Tieke, and G. Wegner, Phys. Status Solidi B 88, 653 (1978).
26. L. Sebastian and G. Weiser, Phys. Rev. Lett. 46, 1156 (1981).
27. G. B. Blanchet, C. R. Fincher, and A. J. Heeger, Phys. Rev. Lett. 51, 2132 (1983).
28. L. Rothberg, T. M. Jedju, P. D. Townsend, S. Etemad, and G. L. Baker, Phys. Rev. Lett. 65, 100 (1990).
29. Z. V. Vardeny, Prog. Theor. Phys. Suppl. 113, 97 (1993).
30. K. Pakbaz, C. H. Lee, A. J. Heeger, T. W. Hagler, and D. McBranch, Synth. Met. 64, 295 (1994).
31. I. H. Campbell, T. W. Hagler, D. L. Smith, and J. P. Ferraris. Phys. Rev. Lett. 76, 1900 (1996).
32. R. N. Marks, J. J. M. Halls, D. D. C. Bradley, R. H. Friend, and A. B. Holmes, J. Phys.: Condens. Matter 6, 1379 (1994).
33. M. Deussen, M. Scheidler, and H. Bassler, Synth. Met. 73, 123 (1995).
34. J. M Leng, S. Jeglinski, X. Wei, R. E. Benner, Z. V. Vardeny, F. Guo, and S. Mazumdar, Phys. Rev Lett. 72. 156 (1994).
35. M. Chandross, S. Mazumdar, S. Jeglinski, X. Wei, Z. V. Vardeny, E. W. Kwock, and T. M. Miller, Phys. Rev. B 50, 14702 (1994).
36. P. G. da Costa and E. M. Conwell, Phys. Rev. B 48, 1993 (1993).
37. Z. Shuai, J. L. Bredas, and W. P. Su, Chem. Phys. Lett. 228, 301 (1994).
38. J. Cornil, D. Beljonne, R. H. Friend, and J. L. Bredas, Chem. Phys. Lett. 223, 82 (1994). (The band edge of S-CI theory occurs at the Hartree-Fock gap, which in Figure 3 occurs at about 6 eV. Table I lists the energy of the lowest state as 3.24 eV, for an exciton binding energy of about 2.75 eV.)
39. E. Moore, B. Gherman, and D. Yaron, J. Chem. Phys. 106, 4216 (1997).
40. Y. Toyozawa, Prog. Theor. Phys. 12, 422 (1954).
41. S. Suhai, Phys. Rev. B 27, 3506 (1983).
42. S. Suhai. Int. J. Quantum Chem. 29, 469 (1986).
43. C. M Liegener, J. Chem. Phys. 88, 6999 (1988).
44. K. Ohno, Theor. Chim. Acta 2, 219 (1964).
45. A Szabo and N. Ostlund, Modern Quantum Chemistry (McGraw Hill, New York, 1989).
46. S. Mazumdar and D. K. Campbell, Phys. Rev. Lett. 55, 2067 (1985).
47. V. G. Zakrzewski, J. V. Ortiz, J. A Nichols, D. Heryadi, D. L. Yeager, and J. T. Golab, Int. J. Quantum Chem. 60, 29 (1996).
48. S. Abe, M. Schrieber, W. P. Su, and J. Yu, J. Lumin, 53, 519 (1992).