Multiconfiguration Dirac-Fock calculations of Zn K-shell radiative and nonradiative transitions

摘要

Zinc K-shell radiative and radiationless transition rates are calculated using the multiconfiguration Dirac-Fock method. Correlation up to the 4p orbital is included in almost all transition rate calculations. Calculated radiative transition rates and transition probabilities are compared with Scofield's Dirac-Hartree-Slater and Dirac-Hartree-Fock calculations, presenting good agreement with the later. Radiative transition intensity ratios involving the strongest lines are compared with theoretical, experimental, and empirical-fit values. Most ratios are in close agreement with the empirical-fit values from NIST's Fundamental Parameters database. Calculated radiationless transition rates and ratios are compared with Chen et al.'s Dirac-Fock values and Safronova et al.'s Dirac-Fock values. The K-LL transition rates are overall lower than Chen et al.'s values, whereas the K-LX and K-XY transition rates are overall higher. Calculated K-LX/K-LL and K-XY/K-LL ratios are relatively close to the experimental values compared. Some calculated intensities relative to K-L2(1D2) are in good agreement with the experimental values, whereas others present worse agreement. The calculated fluorescence yield is higher than all theoretical, experimental, and empirical-fitted values compared, probably because the total radiationless transition rate value calculated in the present work is relatively low.