CCL:G: Excited state geometry optimization
- From: "Adam Langlois"
<Adam.Langlois,,USherbrooke.ca>
- Subject: CCL:G: Excited state geometry optimization
- Date: Tue, 27 Nov 2012 23:13:39 -0500
Sent to CCL by: "Adam Langlois" [Adam.Langlois[*]USherbrooke.ca]
I am looking for a way to do a geometry optimisation of the first singlet
excited state of a molecule. I would like to do this by a DFT method using
Gaussian 09.
Is it possible to obtain a geometry optimised structure of an excited state?
Is so how do I go about carrying out this type of calculations?
Any help would be appreciated
Adam
Adam.Langlois=-=USherbrooke.ca