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Updated: Jun 19, 2026

Quantifying X-Ray Fluorescence Data Using MAPS
Published on: February 17, 2018
Theoretical determination of characteristic x-ray lines and the copper K alpha spectrum
C T Chantler1, A C L Hayward, I P Grant
1School of Physics, University of Melbourne, Melbourne, Australia. chantler@unimelb.edu.au
Abstract:
Core excitations above the K edge result in K alpha characteristic x-ray emission. Understanding these spectra is crucial for high accuracies in investigations into QED, near-edge x-ray structure and advanced crystallography. We address unresolved quantitative discrepancies between experiment and theory for copper. These discrepancies arise from an incomplete treatment of electronic interactions. By finding solutions to relativistic multiconfigurational Dirac-Fock equations accounting for correlation and exchange corrections, we obtain an accurate reproduction of the peak energies, excellent agreement of theory with experiment for the line shapes, good convergence between gauges, and account for the K alpha doublet ratio of 0.522 +/- 0.003ratio1.
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