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FIREFLY based comments on speeds and accuracies of SBKJC vs 6-31G?
Siddheshwar Chopra
sidhusai@gmail.com
Dear All,
This is the first time I am using SBKJC ECPs for the same samples for which I used 6-31G basis sets. Could anyone point out their speed and accuracy comparisons (Firefly based)? As per Jensen's book I read that for the second row elements, SBKJC gives almost same error as that of TZP. And I have never used TZPs. I have till now worked with only 6-31G and variants.Regards,
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Tue Apr 15 '14 1:24pm
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