Koopmans' Theorem - Generalizations of Koopmans' Theorem

Generalizations of Koopmans' Theorem

While Koopmans' theorem was originally stated for calculating ionization energies from restricted (closed-shell) Hartree-Fock wavefunctions, the term has since taken on a more generalized meaning as a way of using orbital energies to calculate energy changes due to changes in the number of electrons in a system.

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