碱卤晶体中电子型色心的吸收谱能态计算

Calculations on Absorption Energy Levels of Electron Trapped Color Centers in Alkali Halides

本文采用多种近似方法,分别对碱卤晶体中的F、F_A(Ⅱ)、F_A(Ⅲ)、F_2^+、F_(2A)^+、F_(2H)^+、F_2、F_2^-等电子型色心的吸收谱能态作了系统的理论计算。理论计算值与本实验室获得的实验值相比,除了个别色心外,相对误差均小于10％,取得了满意的结果。

In this paper, several Kinds of approximation method are used to calculate the absorption energy levels of F, FA(II),FA(III),F2+, F2A+, F2H+, F2, F2- etc elctron trapped color centers in alkali halides. Most of the theoretical results are in good agreement with the experimental absorption results, their percentage errors being less than 10%. We have obtained a satisfactory result.