Answers are grounded in this paper and cite their sources.
The problem of including rigorously the Hartree-Fock exchange potential in the orthogonalized-plane-wave method is considered. Exchange bielectronic integrals are conveniently evaluated analytically by means of the Dawson auxiliary function, upon expansion of Slater-type orbitals into Gaussian-type orbitals. As an example of our procedure, we compute the Hartree-Fock energy bands of solid lithium hydride. The results are compared with earlier calculations and with the energy bands of the other isoelectronic compounds.
No takes yet. Share an insight, caveat, or question.
Grosso et al. (1979) studied this question.
Synapse has enriched 10 related papers. Consider them for comparative context: