As. Kheifets et al., Full-potential linear-muffin-tin-orbital calculation of electron momentum densities of solids, J PHYS-COND, 11(35), 1999, pp. 6779-6792
We calculate electron momentum densities of various crystalline solids by e
mploying the linear-muffin-tin-orbital (LMTO) method. We use three levels o
f approximation to the LMTO: the simplest atomic sphere approximation (ASA)
, the ASA with overlap correction, and the full-potential (FP) LMTO. Althou
gh the band energies calculated using the ASA and the FP-LMTO are practical
ly the same, there is a noticeable difference in the electron momentum dens
ities which is not cured by making a simple overlap correction to the ASA-L
MTO method.