CCL: SV: SV: Looking for a PPP parameter set



 Sent to CCL by: "Gustavo L.C. Moura" [gustavo.moura,,ufpe.br]
 Dear Jens,
 Thank you very much for your suggestion of references. I will download them once
 I get to my office at the university and read them.
 Sincerely yours,
 		Gustavo L.C. Moura
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 Dear Gustavo,
  in the 1970ies Josef Michl and his collaborators investigated application of
 the
  PPP-CI model to the spectra of conjugated systems, focussing on extended CI
  schemes such as SECI-1 and SECI-2. You may find useful information in their
  work, see for example:
  J.W. Downing, J. Michl*, P. Jorgensen, E.W. Thulstrup, Theor. Chim. Acta 1974,
  32, 203.
  You may also find something of interest in the development of the LCOAO model,
  which may be considered as an extension of the PPP-CI model to include all
  valence electrons:
  J. Spanget-Larsen, Theor. Chem. Acc. 1997, 98, 137-153.
  Yours, Jens >--<
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    JENS SPANGET-LARSEN        Office:       +45 4674 2710
    Dept. of Science           Fax:          +45 4674 3011
    Roskilde University        Mobile:       +45 2320 6246
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