Abstract

AbstractThe atomic scattering factor fh for elastic scattering of electromagnetic radiation depends strongly on electronic charge distribution n(r) in the atom. Deviations of recently measured fh's from those calculated from free‐atom electron states confirm the notion that n(r) gets appreciably modified in a solid. Recently it has been shown that the superposition of free‐atom charge densities through Löwdin's α‐expansion can help to find n (r) in a solid, which, in turn, yields a reasonable metallic cohesive energy and binary alloy formation energy. Here it is shown that the same procedure produces fh values that compare well with experiments as well as with more sophisticated band calculations.

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