On variation of wave functions and energy of nlsup(N)→nlsup(N-1)n'l' excitatians during free ion transition to crystal

The results of calculations of wave functions of nlsup(N) and nlsup(N-1) n'l' configurations of Cr3+, Pr2+ and Pr3+ ions in the central field approximation, allowing for the Coulomb part of ligand potential have been presented. In crystals, the values of (nl|rsup(k)|nl)(k>0) for Me3+ and RE2+ increase and Slater integrals, spin-orbit interaction constant, energy of dipole transitions (3d→4p) and 4f→5d) and energy of 3d→4p(4f→5d) interacttion decrease. For RE3+, there is a small collapse of the 4f-shell and an increase of the excitation energy