Geometry optimization in the first excited state
Hello,
As I'm interested in spontaneous emission processes, I need to optimize the geometry in the first excited state. I've tried this input file:
.RUN WAVE FUNCTIONS
**WAVE FUNCTIONS
.HF
*OPTIMIZATION
.STATE 2
**END OF DALTON INPUT
but no optimization is performed. I tried also adding a *CONFIGURATION INPUT
section and changing .HF to .MCSCF.
I guess I've missed something.
Can I get some help? Thank you very much !