dorsal/arxiv
View SchemaMaple procedures for the coupling of angular momenta. VI. LS-jj transformations
| Authors | G. Gaigalas, S. Fritzsche |
|---|---|
| Categories | |
| ArXiv ID | physics/0405156 |
| URL | https://arxiv.org/abs/physics/0405156 |
| DOI | 10.1016/S0010-4655(02)00591-X |
| Journal | Comput. Phys. Comm. 149 (2002) 39-60 |
Abstract
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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"abstract": "Transformation matrices between different coupling schemes are required, if a\nreliable classification of the level structure is to be obtained for open-shell\natoms and ions. While, for instance, relativistic computations are\ntraditionally carried out in jj-coupling, a LSJ coupling notation often occurs\nmuch more appropriate for classifying the valence-shell structure of atoms.\nApart from the (known) transformation of single open shells, however, further\ndemand on proper transformation coefficients has recently arose from the study\nof open d- and f-shell elements, the analysis of multiple--excited levels, or\nthe investigation on inner-shell phenomena. Therefore, in order to facilitate a\nsimple access to LS \u003c-\u003e jj transformation matrices, here we present an\nextension to the Racah program for the set-up and the transformation of\nsymmetry-adapted functions. A flexible notation is introduced for defining and\nfor manipulating open-shell configurations at different level of complexity\nwhich can be extended also to other coupling schemes and, hence, may help\ndetermine an optimum classification of atomic levels and processes in the\nfuture.",
"arxiv_id": "physics/0405156",
"authors": [
"G. Gaigalas",
"S. Fritzsche"
],
"categories": [
"physics.atom-ph",
"physics.comp-ph"
],
"doi": "10.1016/S0010-4655(02)00591-X",
"journal_ref": "Comput. Phys. Comm. 149 (2002) 39-60",
"title": "Maple procedures for the coupling of angular momenta. VI. LS-jj transformations",
"url": "https://arxiv.org/abs/physics/0405156"
},
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