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Multiconfiguration relativistic Dirac-Fock calculations of KLL Auger energies are reported for neon, argon, uranium, and americium. These selected examples demonstrate the feasibility of this method to calculate completely ab initio , in intermediate coupling, Auger transition energies with a precision of a few eV. Comparison of our results with semiempirical ones shows that this ab initio method performs at least as well as those which rely partially on experimental results.
Physical Review A – American Physical Society (APS)
Published: Jun 1, 1976
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