Is optimization of conical intersection possible???


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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


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