CALCULATION OF THE F-F TRANSITION SPECTRA OF THE LANTHANIDES

A computational model and corresponding computer program for calculating the 2S+1L(J) energy levels, reduced matrix elements, Stark energy levels of crystal field, state-state transition oscillator strength between crystal energy levels and for modulating the absorption spectrum of f-element were developed based on irreducible tensor operator method. The energy levels of free metallic ion were calculated with a thirteen parameters model including the two-body and three-body interactions. The Stark energy levels of crystal field were calculated using the model proposed by Newman based on one electron orbital approximation. The f-f oscillator strength calculation includes the contribution of electrostatic induced dipolar transition, ligand polarization dipolar transition, vibronic induced dipolar transition and magnetic dipolar transition.