The first-principles non-local singular atomic pseudopotentials are constructed for seventy-five elements of the Periodic Table. The pseudopotentials are calculated with account of norm-conservating. The energy dependence of the constructed pseudopotentials is studied. They are shown to be energy independent within the energy range which is characteristic of low-energy electron excitations in solids. The values of the classical turning points of pseudopotential are calculated for all the elements considered.
|Number of pages||10|
|Journal||Physica Status Solidi (B) Basic Research|
|Publication status||Published - Jan 1984|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics