ハロゲン化アルカリ中の<Sn>^<2+>中心のスペクトルに及ぼす陽イオン空位の影響(II) : 計算機シミュレーション

The lineshape function for opticalabsorption due to ionic impurities with the <ns>^2 outer electron configuration, incorporated substitutionally in alkali halide crystals, has been simulated for divalent impunty ions in order to check the validity of the tetraganal field perturbation model which was developed in the previous paper I. The complete energy matrix has been diagonalized directly.
Integration over the six dimensionalinteraction mode coordinates has been carried out numerically using Monte Carlo method. The calculated lineshape functions for optical absorption at several temperatures arein reasonably satisfactory agreement with the experimentally determined lineshapes.