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:

scopus