Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2003
Symmetry Analysis of the Kohn-Sham Band Structure of Bulk Lithium Fluoride
Richard J. Mathar
Kohn-Sham orbitals of face-centered cubic lithium fluoride are calculated in prototypical local-density approximations to the exchange-correlation functional. The symmetry analysis…
cond-mat.mtrl-sci2000
Electronic Stopping and Momentum Density of Diamond Obtained from First-Principles Calculations
Richard J. Mathar
We calculate the "head" element or the (0,0)-element of the wave-vector and frequency-dependent dielectric matrix of bulk crystals via first-principles, all-electron Kohn-Sham stat…