激光晶体CsCaF_3:V^(2+)的振动结构

The Vibrational Structures of the Laser Crystal CsCaF_3:V^(2+)

本文首次用自旋极化的DV-Xα方法,在位形坐标模型和线性模近似下,计算了激光晶体C_sC_aF_3:V^(2+)的振动结构。获得了振动频率,合因子,Franck-Condon支距和Huang-Rhys因子等位形坐标参量。计算值与实验值很一致。

The vibrational structures of C_SC_aF_s: V^2+ were calculated under the configuration coordinate model and linear mode approximation by using the spin-polarized DV-X_a method for the first time. The vibrational frequency, coupling factor, Franck-Condon offset ond Huang-Rhys fact or were obtained. The calculated results are in agreement with the experimental results.