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Phys. Rev. A 48, 2946–2951 (1993)

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

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Rajeev K. Pathak and Anjali Kshirsagar
Department of Physics, University of Poona, Pune 411 007, Maharashtra, India

Ruth Hoffmeyer and Ajit J. Thakkar
Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick, Canada E3B 6E2

Received 24 February 1993; published in the issue dated October 1993

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)].

© 1993 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.48.2946
DOI:
10.1103/PhysRevA.48.2946
PACS:
32.80.Cy