Abstract
We apply the self-interaction correction expressed in terms of well localized Wannier functions, implemented within the linear-muffin-tin-orbitals atomic-sphere-approximation band structure method, to the 4f states in the metal praseodymium. As a consequence the occupied 4f states are pulled below the bottom of the conduction band, whilst the unoccupied 4f states appear about 50 mRy above the Fermi energy.
Published Version
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