[molpro-user] Orbital Energies

Timothy Wright Tim.Wright at nottingham.ac.uk
Fri Nov 23 08:52:15 GMT 2012

Dear All,
                after a HF calculation, the wavefunction is printed along with the orbital energies, Couls-En and occupancies. From what I can see the Couls-En energies are for *two* electrons when the orbital is doubly occupied. Could someone confirm I have interpreted that correctly, and note whether the orbital energies are similarly the energy of both electrons? If so, that seems, to me, rather unclear?


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