The result that the chemical potential is equal to the negative of the Koopmans ionization potential I in Hartree–Fock theory is obtained by invoking: (i) The asymptotic form of the electron density: ρHF (r)∼exp[−2(2I)1/2r]; and (ii) results for the large r behavior of the functional derivatives of kinetic energy T and exchange energy Ex: (δT/δρ)→−I, (δEx/δρ)→0.
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Alonso et al. (1983) studied this question.
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