Hartree‐Fock Energy Bands for Krypton

We have computed the Hartree‐Fock energy bands for solid krypton. The method used has been the orthogonalized plane wave (OPW) method. Calculations have been performed at the points Γ, X, L of the first Brillouin zone. Among the most interesting results are: 1. the computed energy gap is of ≈ 15 eV, a value larger than the measured optical gap; 2. the p‐valence bands are relatively wide (≈ 2.8 eV). All these characteristics are in complete agreement with a previous Hartree‐Fock band calculation for argon. We have included many‐body effects using Fowler's theory of electronic polarization.