Ab initio many electron relativistic molecular DFS-calculations of inner shell MO-transitions |
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Authors: | B. Fricke W. -D. Sepp T. Morović |
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Affiliation: | 1. Fachbereich 18-Physik, Universit?t Kassel, Postfach 101380, D-3500, Kassel, Germany
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Abstract: | Using a relativistic molecular DFS code we have calculated a self-consistent many electron relativistic correlation diagram of the system Cl-Ar. The resulting energy for the 2pπ-1sσ transition is in complete agreement with the experimental results of Schuch et al./1/. This definitely confirms their claim that they are able to measure this quantity from interference structures observed in quasi-molecular K-X-ray spectra. |
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