Koopmans' theorem ^{الإنجليزية} (Q500636)

theorem in quantum mechanics that in closed-shell Hartree–Fock theory, the first ionization energy of a molecular system equals the negative of the orbital energy of the highest occupied molecular orbital ^{الإنجليزية}

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الإنجليزية	Koopmans' theorem	theorem in quantum mechanics that in closed-shell Hartree–Fock theory, the first ionization energy of a molecular system equals the negative of the orbital energy of the highest occupied molecular orbital