A new theory explaining the intensity of f-f transitions and the crystal field using an approximation of a strong configuration interaction is proposed. The theory enables the anomalous influence of excited configurations with charge transfer on some multiplets of the f shell to be taken into account. With the help of this theory, a satisfactory description of the absorption transitions and luminescence branching ratios from 1 D 2 and 3 P 0 multiplets for the Pr3+ ion in double molybdates has been achieved for the first time. For further validation the theory, was used to provide a description of Stark splitting of Pr3+ - multiplets in elpasolites and determine the covalence parameters; these parameters were found to be in good agreement with values obtained by the other methods.
Using the general-purpose relativistic atomic structure package based on the fully relativistic multiconfiguration Dirac-Fock method, we have reported the electric dipole transition (E1) parameters such as wavelengths, weighted oscillator strengths, transition rates (or probabilities) and line strengths for 5s-5p and 5p-5d transitions in Xe²⁺. In calculations, the Breit interaction and quantum electrodynamic effects have been included as perturbations. The calculated values for energy levels including valence and core-valence correlation have been compared with other available experimental and theoretical values in literature. Our transition results can provide useful data for, in particular, experimental works in future.
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