Construction of Electronic Charge Density in Solids. Calculation of Atomic Scattering Factors of Elements and Energy of Formation of Alloys

A simple method to construct modified electronic charge densities in solids, ϱ S ( r ), from their free‐atomic charge densities, ϱ F ( r ), is described. Atomic scattering factors of seven elements representing four different crystal structures, and energy of formation of seventeen CsCl‐type intermetallic compounds of transition metals are calculated from such ϱ S ( r ). Results thus obtained compare well with those obtained earlier from superposition of ϱ F ( r ) through Löwdin's α‐expansion.