Subject: Singlet Oxygen with UHF

From: "Dr. Heinz Schiffer" <[email-masked]>
Date: Fri, 14 Feb 1997 14:38:16 +0100

Hi,
can anybody please tell me how to compute the lowest singlet state
of the oxygen molecule (singlet-Delta_gerade, 0.984 eV above the
triplet-Sigma_gerade ground state) with the UHF method ? 
I would greatly appreciate any help.
Ciao,
Heinz
-- 
Dr. Heinz Schiffer		Phone   ++49-69-305-2330
Hoechst CR&T			Fax     ++49-69-305-81162
Scientific Computing, G864	Email   [email-masked]
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