Semiempirical programs with d,f orbitals
- From: "Wojciech Galazka" <wgalazka "at@at"
chem.uw.edu.pl>
- Organization: Department of Chemistry, University of Warsaw
- Subject: Semiempirical programs with d,f orbitals
- 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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