FIRST-PRINCIPLES CALCULATION OF THE NORM-CONSERVING NON-LOCAL SINGULAR ATOMIC PSEUDOPOTENTIALS.

E. V. Chulkov, I. Yu Sklyadneva, V. E. Panin

Результат исследований: Материалы для журналаСтатьярецензирование

3 Цитирования (Scopus)

Аннотация

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.

Язык оригиналаАнглийский
Страницы (с-по)265-274
Число страниц10
ЖурналPhysica Status Solidi (B) Basic Research
Том121
Номер выпуска1
СостояниеОпубликовано - янв 1984

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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