Leading corrections to atomic impulse-approximation Compton profiles: A density-functional approach.

Abstract

By use of a theory due to Gasser, Tavard, and others, the leading first-order corrections to the spherically averaged atomic Compton profiles (CP's) beyond the impulse approximation, for some inert closed-shell monatomic systems (He, Ne, Ar, and Kr), are obtained. This is accomplished by employing the Kohn-Sham technique of the density-functional theory, which leads to a self-consistent description, as opposed to the popular «effective-hydrogenic-potential» theories used in this context. The resulting corrections to the CP's thus obtained are seen to compare well with the earlier effective hydrogenic estimates. The orbital corrections are seen to conform to an empirical rule put forth ealier by Gasser and Tavard [Phys. Rev. A 27, 117 (1983)]