Overview and calculation of X‐ray K‐shell transition yields for comprehensive data libraries. (3rd January 2020) - Martins, L.
Abstract : The simulation of atomic relaxation relies on data libraries with tabulated partial fluorescence yield values of radiative transitions, commonly derived from the Evaluated Atomic Data Library (EADL). However, recent studies support that the data library EADL could be improved by adopting Scofield's Hartree‐Fock calculations instead of current Scofield's Hartree‐Slater calculations. This work presents a bibliography overview of relevant atomic parameter values in order to verify the partial fluorescence yields presented in EADL. The references include libraries and articles, in which the atomic parameter values were theoretically calculated, experimentally measured, or obtained with semi‐empirical and empirical fitting formulas. We present a comparison of total K‐shell fluorescence yields and partial K‐L2, K‐L3, K‐M2, K‐M3 fluorescence yields that are either obtained directly from its references, or are derived from atomic parameters presented in these references. Additionally, we obtain comprehensive partial fluorescence yield values from the combination of semi‐empirical and empirical fitting functions from different references. The comparisons performed in this work confirm that total K‐shell, partial K‐L2, and partial K‐L3 fluorescence yield values, obtained from Scofield's Dirac‐Slater calculations have better agreement with the most recent empirical values. Partial K‐M2, and partial K‐M3 fluorescence yield values obtained from Scofield's Dirac‐Fock calculation have better agreement with the most recent empirical values. Therefore, further studies should be performed before changing the EADL data library.