[molpro-user] Analytical Hessian for SA-CASSCF

SCAr Chung s4c6ar at gmail.com
Wed Nov 21 08:08:52 GMT 2012


Dear all,

  I can successfully run analytical Hessian for CASSCF (S0 only), but I
can't manage to run analytical Hessian for SA-CASSCF. I use Molpro2012. Is
analytical Hessian available for SA-CASSCF? Thanks for any comments.

Best Wishes,

Oscar
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