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- W2010077892 abstract "A method to calculate extra-atomic relaxation energies is presented. It is based on the use of SCF hole-state calculations. The ERea (2s) and ERea (2p) values obtained for the 3d-transition metal series are in fair agreement with experimental values." @default.
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- W2010077892 title "Extra-atomic relaxation energies for the 3d-transition metal series obtained with SCF hole-state calculations" @default.
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