Calculation of g-factor in ers with EHMO method ESR中g因子的EHMO计算
Under approximation of atomic orbital, the g-factor of ruby is calculated and the result is in good agreement with the experiments. 在原子轨道近似下,近似地计算了红宝石的g因子,结果与实验符合得相当好,表明用本法解释过渡金属络合物的ESR谱是成功的。
Furthermore, the semi-quantitative interpretation is given for the shift of EPR g-factor of CsNiCl_3 at lower temperatures. 在此基础上,进一步对CsNiCl3在低温下顺磁共振g因子随温度的漂移作了半定量的解释。