Relativistic calculations of4fexcitation energies in the rare-earth metals: Further results

We report additional results of our relativistic calculations of $4f$ excitation energies in the rare-earth metals: (i) $4f$ binding energies computed for the atomic configurations used as inputs to our band calculations, as well as for the atomic ground states; (ii) band parameters and $4f$ level positions calculated via the renormalized-atom method, with emphasis on the unoccupied $4f$ levels; (iii) values for $U$, the Coulomb interaction energy between two $4f$ electrons at the same metallic site; and (iv) simple estimates of cohesive energies. Comparisons are made with experimental values. In particular, we find that our approach works well for estimating $U$ in metals and insulators. The Appendix contains a discussion of the connection between our calculated parameters and those of the Anderson model (as applied to fluctuating valence systems), including dynamic screening effects.