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12:16 AM
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Q: Do the orbital energies of ground-state Dyson orbitals exactly capture arbitrary excitation energies and/or ionisation potentials/electron affinities?

Kanghun KimAccording to an answer to my question on whether the Kohn-Sham orbital energies theoretically exactly capture arbitrary ionisation potentials and/or excitation energies, the answer is no for both questions "due to the neglect of attractions between electrons and holes in K-S theory"- a reason I c...

 

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