Hartree-Fock Energy Bands for Argon

The energy bands of Ar are investigated in the Hartree-Fock approximation. We have used localized orbitals self-consistent for the crystal (accurate to first order in the interatomic overlap) and the mixed-basis method. The results are compared with previous orthogonalized-plane-wave Hartree-Fock calculations by Lipari and Fowler and augmented-plane-wave calculations by Dagens and Perrot and the agreement is good.

Ҳали таржима қилинмаган