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This article discusses the effects of covalency on the p-shell photoemission of transition metals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings

physical review b

Effects of covalency on the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:math>-shell photoemission of transition metals:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>MnO</mml:mi></mml:mrow></mml:math>

Effects of covalency on thep-shell photoemission of transition metals:MnO