[molpro-user] pseudo canonical orbitals
Kaveh Haghighi Mood
haghighi at pc.rwth-aachen.de
Fri Sep 5 09:29:33 BST 2014
Dear all,
Molpro prints out pseudo canonical orbitals after MCSCF calculation with
energies. In HF method orbital energies are
Fock operator. I what to know what are this printed numbers and is it
possible to print those also for external (not optimized virtual)
orbitals.
Any clarification is highly appreciated.
Kaveh Haghighi Mood
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