The energy bands of MgO, the oxygen 2 s -band, the oxygen 2 p -bands and the conduction bands, are evaluated by the Green's function method with the Hartree-Fock-Slater self-consistent potential. The charge distribution of electrons in the 2 p -bands is determined. It is well localized in the oxygen sphere and the ionic character of the MgO crystal seems to be evident. The atomic 2 p -wave function of the hypothetical doubly charged oxygen negative ion is derived from the wave functions of the three states, \(₁₅\), X ' 4 and X ' 5 .
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Yamashita et al. (1970) studied this question.
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