Abstract

It is shown that the local spin-density approximation describes well electronic structures of perovskite $\mathrm{La}M{\mathrm{O}}_{3}$ ( $M\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}$ Mn, Fe, Co, Ni) for the ground-state and single-electron excited-state properties. Inclusion of details of crystal structures distorted from the cubic structure is crucial to reproduce different magnetic structures and insulating states. Calculated x-ray photoemission spectra are in very good agreement with experimental ones, and its angular momentum characters are in conformity with ultraviolet photoemission spectra.

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