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Koopmans' theorem
Sign in to savetheorem 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
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HOMO/LUMO
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Hartree–Fock method
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electronvolt
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Fock matrix
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International Standard Book Number
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digital object identifier
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International Standard Serial Number
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OCLC, Inc.
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Q180686
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ionization energy
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bibcode
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Q118398
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Tjalling Koopmans
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electron affinity
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Q22908627
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ground state
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density functional theory
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Handle System
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molecular symmetry
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Slater determinant
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