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

Abstract:

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).

Año de publicación:

2004

Keywords:

Fuente:

scopus