[molpro-user] Conical Intersections

Doran Bennett bennett.doran at gmail.com
Mon Aug 7 19:03:39 BST 2006

Dear Users,

I am trying to optimize the geometry for a conical intersection. The
manual shows how to perform the calculations using SA-MCSCF, but is it
possible to perform the calculation using MRCI level of theory?
I have looked through the archives, and while the question seems to
have been asked before, I was unable to find the answer.

Thanks in advance,

Doran Bennett

More information about the Molpro-user mailing list