Subject: Re: CCL:G:Gaussian expansion of Slater-type orbitals

From: Ernst-Udo Wallenborn <[email-masked]>
Date: Tue, 21 Jul 1998 07:51:59 +0200 (CEST)

On Mon, 20 Jul 1998, Davide Proserpio wrote:
>I am looking for a program that can input simple or double
>zeta slater type orbitals (the one used in extended Huckel calculations)
>and give be the best gaussian expansion (4, 6 or more functions).

You may wish to have a look at 

Lopez et al, J. Chim. Phys. _84_ 695 (1987)
Rico et al, Collect. Czech. Chem. Comm. _53_ 2250 (1987)
V.R. Saunders.  Computational Techniques in Quantum Chemistry and
   Molecular Physics, G.H.F. Diercksen, B.T. Sutcliffe and A. Veillard,
   Eds. (D. Reidel, Boston, 1975) 347-392.
Rico et al, Comp. Phys. Comm. _105_ 216 (1997)

-- 
Ernst-Udo Wallenborn
Laboratorium fuer Physikalische Chemie
ETH Zuerich