Abstract
Sulfur Kα 1,2 X-ray transitions are calculated for a series of systems using the equivalent-cores approximation in which sulfur with a core hole is replaced by a Cl + ion. Charge densities on such chlorine atoms are evaluated using the INDO method and correlated with experimental transition energies. The position of Kα 1,2 lines which cannot be resolved experimentally are predicted. A qualitative explanation of valence orbital penetration into the atomic core and the resulting effects on X-ray spectra is presented.
Published Version
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