Posted by Evgeniy on November 11, 2009 at 11:29:53:
Dear Developers of Molcas,
I am wondering whether it is possible to optimize conical intersections with CASSCF or CASPT2. There is the option CIOPtimization for the SLAPAF module but I am confused with the manual whether it works. My question, does it work? Thanks!
Best regards,
Evgeniy