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Re: basis set guide!

Richard
bonarlaw@liv.ac.uk

Gaussian's SDD is what the EMSL basis set exchange calls DZ (Dunning) up to Ar, then Stuttgart RSC 1997 ECP for the rest. Only useful if you actually want a completely unpolarized basis set...

Richard

PS I'd better add its Stuttgart RLC for heavier main group elements, and although the Gaussian manual says D95V up to Ar, D95 (aka DZ Dunning) is what is in fact used if you specify SDD.

On Mon Mar 9 '09 1:08pm, mashhadi wrote
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>I want to use a basis set in Gamess to be equal of sdd in Gaussian.
>

[ This message was edited on Mon Mar 9 '09 at 5:41pm by the author ]

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