The effect of atomic and extra-atomic relaxation on atomic binding energies |
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Authors: | DA Shirley |
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Institution: | Department of Chemistry and Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720, USA |
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Abstract: | An equivalent-cores-relaxation model is given for calculating atomic binding energies from orbital energies using only ground-state atomic properties. The agreement with experiment is excellent for the noble gases. On the basis of present knowledge of atomic relaxation, the phenomenon of “extra-atomic relaxation”, in which electronic charge is attracted toward a hole-state atom, is shown to have an important effect in lowering atomic core-level binding energies in condensed phases. This will affect the interpretation of most core-level binding energies measured to date. |
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