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Koopmans' theorem


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The principle that the ionization energy of a molecule is equal to the orbital energy of the ejected electron. It is the basis of the interpretation of spectra in photoelectron spectroscopy. Koopmans' theorem is an approximation in that it ignores any reorganization of electrons in the ion formed. It is named after the Dutch mathematition and economist Charles Koopmans (1910–85).

Subjects: Chemistry.


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