We present an implementation of the Hubbard-I approximation based on the exact solution of the atomic many-body problem incorporated in a full-potential linear muffin-tin orbital method of density-functional theory. Comparison between calculated and measured x-ray photoemission spectra reveal a good agreement for intermediate valence systems in open crystal structures such as YbInCu₄, SmB₆, and YbB₁₂. Spectral features of the unoccupied states of SmB₆ are predicted.
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Thunström et al. (2009) studied this question.
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