Conical intersection versus avoided crossing

Evgeniy Gromov Evgeniy.Gromov at
Tue Oct 14 14:15:31 BST 2003

Dear colleagues,

I have a question concerning optimization
of conical intersections with SA-CASSCF procedure.
I am interested in the case when there is no conical
intersections at which (some) two electronic states
become degenerate but there is only avoided crossing for
those states. What will be the result of trying to find the point
of conical intersection in such a case using the special algorithm for that
described in molpro manual on pages 226-229? Whether is it possible, in
general, to get with molpro the "more degenerate" point of avoided crossing
if there is no any point of conical intersection?

All advice and comments will be very appreciated.

Best regards, Evgeniy.

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