【摘要】 采用强场方案 ,通过将d8完全能量矩阵对角化 ,统一计算了LiNbO3:Ni2 + 的常压能谱和g因子 ,计算结果与大量实验数据符合很好 .给出了各个能级对不同参量的变化率 .研究表明 ,利用对角化完全能量矩阵获得的波函数对g因子所作的计算为整个理论计算及波函数的归属提供了重要判据 ,充分体现了将能谱和g因子作统一计算的重要性和必要性 .更多还原

【Abstract】 By adopting the strong field scheme, a unified calculation of the whole energy spectrum and g factor of the ground state for LiNbO 3:Ni 2+ at normal pressure has been carried out on the basis of the diagonalization of the complete d 8 energy matrix. All the calculated results are in very good agreement with a lot of experimental data. Furthermore, the rates of change of levels with respect to various parameters has been calculated. By using the wavefunctions obtained by diagonalization of the complete energy matrix,the calculation of g factor has provided important criteria for the correctness of the calculations and assignments of the energy spectrum and wavefunctions.This shows that it is quite necessary and important to carry out the unified calculation of the whole energy spectrum and g factor.更多还原