Correlation effects in metallic cohesion

ORAL

Abstract

The electronic contribution to the cohesive energy of a correlated metal is the sum of the transition energies for adding successive electrons at successive Fermi levels until the system reaches its final electron density. This can be computed as the integral of energy over the projected density of transitions for adding single electrons to localized orbitals. In the case of independent electrons, this reduces to the usual integral over the projected density of states. As an example, cohesive energies for some simple transition metal structures are calculated using the recursion method$^{\ast }$ with a Hubbard repulsion between electrons. * Phys. Rev. B \underline {61}, 7953-64

Authors

  • Roger Haydock

    University of Oregon