Maple的耦合角动量程序。VI。LS-jj变换
Maple procedures for the coupling of angular momenta. VI. LS-jj transformations
摘要：
如果要获得开壳层原子和离子的能级结构的可靠分类，则需要不同耦合方案之间的变换矩阵。例如，相对论计算传统上是在jj耦合中进行的，而LSJ耦合符号通常更适合于对原子的价层结构进行分类。然而，除了（已知的）单开壳变换，最近又出现了对适当的变换系数的进一步需求，从开d-和f-壳元的研究，多激发能级的分析，或内壳现象的研究。因此，为了便于简单地访问LS <->jj变换矩阵，在这里，我们提出了一个扩展的Racah程序的设置和转换的自适应功能。一个灵活的符号被引入定义和操纵开壳层配置在不同的复杂程度，也可以扩展到其他耦合方案，因此，可能有助于确定一个最佳的分类原子水平和进程在未来。
英文摘要：
Transformation matrices between different coupling schemes are required, if a reliable classification of the level structure is to be obtained for open-shell atoms and ions. While, for instance, relativistic computations are traditionally carried out in jj-coupling, a LSJ coupling notation often occurs much more appropriate for classifying the valence-shell structure of atoms. Apart from the (known) transformation of single open shells, however, further demand on proper transformation coefficients has recently arose from the study of open d- and f-shell elements, the analysis of multiple--excited levels, or the investigation on inner-shell phenomena. Therefore, in order to facilitate a simple access to LS <-> jj transformation matrices, here we present an extension to the Racah program for the set-up and the transformation of symmetry-adapted functions. A flexible notation is introduced for defining and for manipulating open-shell configurations at different level of complexity which can be extended also to other coupling schemes and, hence, may help determine an optimum classification of atomic levels and processes in the future.
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