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On the strategy of transport calculations in conducting polymers

  • S. Suhai
II. Theoretical Approaches for Ordered Systems
Part of the Lecture Notes in Physics book series (LNP, volume 113)

Abstract

The Purpose of this short review is to give a concise account of the present day possibilities for the quantum mechanical determination of the transport properties in polymeric conductors and organic molecular crystals. Emphasis is put on the specific problems common for this class of conductors and on the general features of the theoretical methods applicable to them rather than giving detailed technical expressions or reporting specific results.

Keywords

Polymeric Conductor Elementary Cell Linear Response Theory Transport Calculation Transport Quantity 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. [1]
    G. Del Re, J. Ladik, G. Biczó, Phys. Rev., 155, 957 (1967)Google Scholar
  2. [1a]
    J.M. André, L. Gouverneur, G. Leroy, Int. J. Quant. Chem., 1, 427, 451 (1967)Google Scholar
  3. [2]
    Gaussian 76 Program System, QCPE, Bloomington, Indiana, 1976Google Scholar
  4. [3]
    S. Suhai, unpublished results [4] S. Suhai, Chem. Phys. (submitted)Google Scholar
  5. [5]
    S. Suhai, Phys. Rev. B (to be published)Google Scholar
  6. [6]
    A. Karpfen, P. Schuster, Chem. Phys. Lett., 44, 459 (1976)Google Scholar
  7. [6b]
    L. Piela, J. Delhalle,Int. J. Quant. Chem., 13, 605 (1978)Google Scholar
  8. [7]
    Toyozawa, Progr. Theor. Phys. (Kyoto), 12, 421 (1954)Google Scholar
  9. [7b]
    A.B. Kunz, Phys. Rev.B, 6, 606 (1972)Google Scholar
  10. [7c]
    T.C. Collins, A.B. Kunz, J.T. Devreese, Int. J. Quant. Chem. Symp., n°7,551 (1973)Google Scholar
  11. [8]
    S. Suhai, Phys. Lett. A, 62, 185 (1977)Google Scholar
  12. [9]
    P.O. Löwdin, Phys. Rev., 97, 1474, 1490, 1509 (1955)Google Scholar
  13. [9b]
    J.L. Calais, Arkiv Fysik, 28, 511 (1965)Google Scholar
  14. [9c]
    K.F. Berggren, F. Martino, Phys. Rev., 184, 484 (1969)Google Scholar
  15. [10]
    S. Suhai, J. Phys. C., Solid State Phys., 9, 3073 (1976)Google Scholar
  16. [11]
    S. Suhai, Solid State Commun., 21, 117 (1977)Google Scholar
  17. [12]
    S. Suhai, J. Phys. C, Solid State Phys. (accepted)Google Scholar
  18. [13]
    M. Kertesz, J. Koller, A. Azman, Int. J. Quant. Chem. (in press)Google Scholar
  19. [14]
    See the lecture of J. Ladik in this volumeGoogle Scholar
  20. [15]
    J. Cizek, J. Chem. Phys., 45, 4256 (1966)Google Scholar
  21. [16]
    J. Cizek, S. Suhai (in preparation for publication)Google Scholar
  22. [17]
    See the lecture of M. Kertesz in this volumeGoogle Scholar
  23. [18]
    S. Suhai, Physica Status Solidi (submitted)Google Scholar
  24. [19]
    S. Suhai, J. Kaspar (in preparation for publication)Google Scholar
  25. [20]
    J. Ladik, M. Seel, Phys. Rev. B, 13, 5338 (1976)Google Scholar
  26. [21]
    For a review see: L.J. Sham, in Elements of the Theory of Lattice Dynamics, A.A. Maradudin, Ed. (North-Holland Publ. Co., Amsterdam), 1974Google Scholar
  27. [22]
    Y. Takeuti, Progr. Theor. Phys. (Kyoto), 95, 1167 (1957)Google Scholar
  28. [23]
    S. Suhai (unpublished results)Google Scholar
  29. [24]
    S. Suhai, in Quantum Theory of Polymers, J.M. André, J. Delhalle, J. Ladik Eds. (D. Reidel Publ. Co., Dordrecht-Boston), p. 335 (1978)Google Scholar
  30. [25]
    J.M. Ziman, Electrons and Phonons (Oxford University Press, Oxford), 1960Google Scholar
  31. [26]
    R. Kubo, J. Phys. Soc. Japan, 12, 570 (1957)Google Scholar
  32. [27]
    M. Seel, T.C. Collins, F. Martino, D.K. Rai, J. Ladik,Phys. Rev. B (in press)Google Scholar
  33. [28]
    S. Suhai, J. Kaspar, J. Ladik (in preparation for publication).Google Scholar

Copyright information

© Springer-Verlag 1980

Authors and Affiliations

  • S. Suhai
    • 1
  1. 1.Lehrstuhl fur Theoretische ChemieFriedrich-Alexander-Universität Erlangen-NürnbergEgerlandstraße 3FRG

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