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Relativistic core binding energies of selected atoms: Comparison with experiment and other calculations

Single-configuration Dirac—Fock binding energies are reported for K 2 p, Rb 3 p, Cs 3 d, Mg 1 s, Zn 2 p, and Cd 3 d as well as for the corresponding levels in the cations of these elements and the neighboring rare gases. The results are compared with similar Dirac—Slater and Hartree—Fock calculation...

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Bibliographic Details
Published in:Journal of electron spectroscopy and related phenomena 1981, Vol.24 (2), p.173-179
Main Authors: Key, R.J., Banna, M.S., Ewig, C.S.
Format: Article
Language:English
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Summary:Single-configuration Dirac—Fock binding energies are reported for K 2 p, Rb 3 p, Cs 3 d, Mg 1 s, Zn 2 p, and Cd 3 d as well as for the corresponding levels in the cations of these elements and the neighboring rare gases. The results are compared with similar Dirac—Slater and Hartree—Fock calculations, and with experiment. It is found that the calculated binding energies are generally in very good agreement with experiment and are superior to the Dirac—Slater and Hartree—Fock results. The relativistic contribution is shown to be significant even for lighter atoms.
ISSN:0368-2048
1873-2526
DOI:10.1016/0368-2048(81)80004-7