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Locality of the exchange energy functional

Abstract:

The local character of the exchange functional E(x)[ρ] is investigated. Through the analysis of two examples of strictly local exchange functionals, the Kohn-Sham exchange functional for two-electron spherically symmetric systems and for the beryllium atom, it is concluded that the latter is not local, although in all these cases the Levy - Perdew relation is satisfied. (C) 2000 Elsevier Science B.V.

Año de publicación:

2000

Keywords:

  • Exchange energy
  • density functional theory
  • Locality

Fuente:

scopusscopus

Tipo de documento:

Article

Estado:

Acceso restringido

Áreas de conocimiento:

    Áreas temáticas:

    • Electricidad y electrónica

    Contribuidores:

    Pino R.Pino R.
    Eduardo V. LudeñaEduardo V. Ludeña
    López‐boada R.López‐boada R.