Relativistic dirac-fock exchange and breit interaction energy functionals based on the local-density approximation and the self-consistent multiplicative constant method

Valentin V. Karasiev, Eduarde V. Ludeña, Olga A. Shukruto

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

8 Citas (Scopus)

Resumen

The relativistic extension of the self-consistent αmethod and the AASCα functionals for the Coulomb exchange was studied. The new functionals introduced are based on the application of the self-consistent multiplicative constant method. The new Dirack-Fock exchange and Briet interaction energy functionals satisfy the variational principles. The total and exchange energies and ionization potentials obtained from these functionals are quite close to those of the relativistic optimized potential method (ROPM).

Idioma originalInglés
Número de artículo052509
Páginas (desde-hasta)052509-1-052509-11
PublicaciónPhysical Review A
Volumen69
N.º5 A
DOI
EstadoPublicada - may. 2004
Publicado de forma externa

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