The pseudopotential methods and the F_A-center in some alkali halides with Cs impurities

Abstract

The optical absorption of the F_A band is obtained for KBr : Cs, KI : Cs, RbBr : Cs and RbI : Cs using the pseudopotential methods of Bartram et al.,⁸ Alig⁹ and Zwicker.¹⁰ For the calculations, the Gourary and Adrian² wave functions as well as the Gaussian wave functions were used.

It was found that the three methods gave similar results for the absorption energy corresponding to the ground state of the F_A -center. For the excited state, the methods gave different results due probably to the kinetic portion of the energy.