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The four f→f transition energies of the single 5f-based electron of PaX 62− (X=F, Cl, Br, I) have been calculated using quasi-relativistic local density functional theory. Excellent agreement (<200 cm −1 ) between theory and experiment is obtained for PaCl 62− , PaBr 62− and PaI 62− by variation of the value of α in the Xα exchange-only...
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