红宝石能谱的全分析  

THE COMPLETE ANALYSIS OF THE SPECTRUM OF RUBY

作　　者：杨忠志 王志中 唐敖庆 Yang Zhongzhi;Wang Zhizhong;Tang Aoqing(The Institute of Theoretical Chemistry,Jilin University,Changchun)

机构地区：[1]吉林大学理论化学研究所

出　　处：《高等学校化学学报》1981年第3期358-364,共7页Chemical Journal of Chinese Universities

摘　　要：本文应用配位场理论,采用|dnaSTsPsLTPtr>方案,完成了红宝石能谱的理论计算。在计算中,考虑了全部d3组态内的静电作用能,正八面体场位能,三角场位能和旋轨耦合作用能。我们选择了一组参数,所得的理论计算能谱和谱线分裂,与实验值符合较好。文中也讨论了各参数的改变对于能谱及其分裂的影响。In this paper we have carried out theoretical calculation on the energy levels of ruby by means of theoretical methods of the field theory[1].In the calculations we have considered all electrostatic interactions,octahedral-field potential and trigonal-field potential and spin-orbital coupling interaction of the d3 configuration.The calculated energy levels and splittings coincide better with experimental values.In this paper we have also discussed effects of various parameters on energy levels and splittings.

关 键 词：配位场理论 正八面体 谱线分裂 红宝石 静电作用 能谱 

分 类 号：TP2[自动化与计算机技术—检测技术与自动化装置]