Interpretation of the Kohn-Sham orbital energies as approximate vertical ionization potentials

D.P. Chong, O.V. Gritsenko, E.J. Baerends

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Abstract

A study was carried out to show that the Kohn-Sham (KS) orbital energies -ε
Original languageEnglish
Pages (from-to)1760-1772
Number of pages13
JournalJournal of Chemical Physics
Volume116
Issue number5
DOIs
Publication statusPublished - 2002

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