Hi, is there any way that I can optimize the singlet excited state geometry of a molecule (optimization of the S1 structure - scf level) ? I couldn’t find it on the documentation. Any help would be appreciated. – Thank you.
When you say “excited state at the SCF level,” are you talking about TD-HF/TD-DFT, or something else?
Yes, I mean TD-DFT, sorry for the confusion.