Exchange energy density in density-functional theory via the Dirac density matrix for a nonrelativistic 10-electron atomic ion compared with Becke's proposal for a gradient-corrected local-density-approximation result

  1. Glasser, M.L.
  2. March, N.H.
  3. Nieto, L.M.
Revue:
Physical Review A - Atomic, Molecular, and Optical Physics

ISSN: 1050-2947 1094-1622

Année de publication: 2009

Volumen: 79

Número: 4

Type: Article

DOI: 10.1103/PHYSREVA.79.042506 GOOGLE SCHOLAR

Objectifs de Développement Durable