作者: Susumu Asada , Satoru Sugano
DOI: 10.1143/JPSJ.41.1291
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摘要: Appearance of satellite lines in the X-ray photoelectron emission from 2 p -shell metal ion transition-metal compounds are ascribed to increase covalency due creation an inner-core hole. For this argument a simple two-configuration model is used, which reveals shortcoming once ab initio calculations line positions and intensities attempted. The molecular-orbital calculation multiplet structure performed by taking into account change atomic d -orbital hole molecular cluster (NiF 6 ) 4- , reasonable agreement with experiments obtained. reduction Coulomb-interaction parameters found analysis main can also be explained our theory. result shows that conventional equivalent-core approximation overestimates effects