A new determination of the parameters of the optimized Heine–Abarenkov potential for 27 elements

Abstract

We have calculated the energy levels of the truncated Coulomb potential using numerical integration of the radial Schrödinger equation, rather than interpolation in tables. The results are used to give the parameters of the optimized Heine–Abarenkov potential for 27 elements. Various methods of weighting other contributions to the potential in the solid are used, and the inhomogeneity correction introduced by Ballentine and Gupta is discussed.