A systematic theoretical examination of the electronic structures of a number of Ce compounds reveals some qualitative trends in the band structures that may be useful in the assignment of Ce oxidation state: in Ce3+ compounds there is at least one occupied band which is clearly made up mostly of Ce states, while in systems containing Ce4+ the small Ce contributions to occupied states are spread across many bands. The figure shows an electron density contour plot of an energy slice of CeN.
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Landrum et al. (1999) studied this question.