The self-consistent Hartree-Fock energy bands which are presented in this paper for LiF and Ne closely match Hartree-Fock energy bands reported by other groups for these compounds. The Hartree-Fock equilibrium lattice constant and bulk modulus for LiF are 3.972 Å and 7.54 × ${10}^{11}$ dyn/${\mathrm{cm}}^2$, as compared to the experimental values of 4.02 Å and 6.71 × ${10}^{11}$ dyn/${\mathrm{cm}}^2$. Hartree-Fock x-ray structure factors and directional Compton profiles in the impulse approximation are presented. The calculated x-ray structure factors of LiF agree with experiment to within 2%, while the calculated Compton profiles of LiF agree with experiment to within 3%.

• Received 9 November 1973

DOI:https://doi.org/10.1103/PhysRevB.9.5249