Title of article :
The centroid shift of the 5d levels of Ce3+ with respect to the 4f levels in ionic crystals, a theoretical investigation
Author/Authors :
Andriessen، نويسنده , , J and Dorenbos، نويسنده , , P and van Eijk، نويسنده , , C.W.E، نويسنده ,
Abstract :
The centroid shifts of the 5d level of Ce3+ in BaF2, LaAlO3 and LaCl3 have been calculated using the ionic cluster approach. By applying configuration interaction as extension of the basic HF-LCAO approach the dynamical polarization contribution to the centroid shift was calculated. This was found to be only successful if basis sets are used optimized for polarization of the anions.
Keywords :
Ce3+ levels , Centroid shift , HF-LCAO , Coupled cluster
Journal title :
Astroparticle Physics
