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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