Subject: Semiempirical programs with d,f orbitals

From: "Wojciech Galazka" <[email-masked]>
Date: Mon, 4 Oct 93 15:57:58 CST

Hi
   Does anybody know if there are any quantum semiempirical programs
   with d, f orbitals included? The only one I know is SINDO1 (for reference
   see K.Jug R.Iffert J.Schulz 'Development and Parametrization of SINDO1 
   for Second-row Elements' Int.J. Quant. Chem. 32 265-277 (1987)}.
   I have heard about MNDO-like methods with artificially included d 
   orbitals but results obtained by them are not good for hypervalent 
   sulphur compounds.
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//                                                        //
//  Wojciech Galazka                                      //       
//  Computer Center                                       //
//  Chemistry Department,  University of Warsaw           //
//  Pasteura 1, 02-093 Warsaw, Poland                     //
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//   [email-masked]                      //
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