数字递推法推导等价组态j-j耦合谱项  

DETERMINATION OF J J COUPLING SPECTRAL TERMS FOR EQUIVALENT CONFIGURATIONS USING NUMERICAL RECURSION ALGORITHM

作　　者：马建峰[1] 宋秀芹[1] 王玉 赵森[1] 

机构地区：[1]河北师范大学化学系

出　　处：《计算机与应用化学》1999年第2期140-144,共5页Computers and Applied Chemistry

摘　　要：ｊ耦合谱项的推导对于研究重核原子的结构和光谱十分重要，但用人工方法推导谱项十分繁琐，工作量也很大。其难点在于推导组合组态［（ｊ）ｎ］Ｊ的Ｊ值，文章中采用一种新的数字递推法解决了这一难题。该法利用结构化的ＴＲＵＥＢＡＳＩＣ语言编制了计算程序，利用本程序可快速、准确、清晰地推导各种等价电子组态ｊｊ耦合谱项的Ｊ值。同时在程序中对推导结果进行了验证。The determination of the j j coupling spectral terms is important for investigating the structures and spectrum of the heavy nuclear atoms. However, it is hard to derive the spectral terms by manual calculation. The key problem is how to find out the J values for a combination configuration J . The problem has solved by using a new algorithm of numerical recursion proposed in this paper. A computer program written in True Basic language is developed based on the new algorithm. The program can determine and output all the J values corresponding to an arbitrarily given equivalent electron configuration.

关 键 词：原子光谱项 j-j耦合谱项 数字递推法 

分 类 号：O562.3[理学—原子与分子物理]