Ab‐initio pseudopotential calculation of static and dynamic crystal properties of H.C.P. metals

Harrison's ab‐initio pseudo‐potential scheme is applied to Be and Mg. The influence of the core–valence and the valence‐valence electron exchange and correlation on the atomic radius, the binding energy, the bulk modulus and its pressure derivative, the equation of state, and the phonon spectra is investigated. Satisfactory agreement with experiment is reached.