configuration interaction

From: Dufaure Corinne <corinne_dufaure_at_yahoo.fr>
Subject: configuration interaction
Date: Fri, 24 Sep 2004 15:36:02 +0200 (CEST)

Dear Netters,

I try to study excited states of an organic molecule using G98.

I would like to find the energy of the four lower excited states. I use CI.

I did CIS and get the information I wanted but with wrong values for the energy of the excited states. so I would like to include double substitutions in the calculation. I use the keyword CISD : I get the total energy corrected by the CI but I could not get the energy of the excited states.

Is it possible to have this information with G98?

Any advice for another code?

thanks, bye,

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