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Article
Renormalized-free-atom model and Compton profile of hcp cobalt
Compton profile of cobalt has been calculated employing the renormalized-free-atom model for fcc as well as hcp phases choosing several 3d-4s configurations. The results have been compared with recent gamma-ray m...
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Chapter
Directed Compton Profiles and Diamagnetic Susceptibilities for Rubidium Halide Crystals
Directed Compton profiles and magnetic susceptibilities of RbF, RbCl, and RbBr crystals have been calculated using the LCAO-approximation for the Bloch states of the electrons. The orthogonalization effects in...
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Article
X-ray scattering factors for ionic crystals with complete electron shells
Scattering factors for ionic crystals with complete electron shells were considered by employing radially deformed atomic wave functions for “crystal ions”. The deformation was taken into account by the scalin...
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Article
X-ray scattering factors for ionic crystals with complete electron shells
X-ray scattering factors for the NaF, NaCl, LiCl, LiBr, and KBr crystals were computed using the Hartree-Fock wave functions of the free ions given by Clementi [3]. The corrections, due to the overlap between ...
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Article
X-ray scattering factors for ionic crystals with complete electron shells
Expressions of the X-ray scattering factors were derived for ionic crystals with complete electron shells by using the wave functions of free ions. The non-orthogonality of the atomic wave functions in a cryst...
