Berlin 2001 – wissenschaftliches Programm
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A: Atomphysik
A 17: Posters Friday (Spectroscopy)
A 17.47: Poster
Freitag, 6. April 2001, 12:30–15:00, AT3
LSJ Spectroscopic Notations from Relativistic Calculations — •G. Gaigalas1, S. Fritzsche2, and 3 — 1Institute of Theoretical Physics and Astronomy, Vilnius, Lithuania — 2Fachbereich Physik, Universität Kassel, 34132 Kassel — 3
For complex spectra of open–shell atoms, a proper classification and recognition of the LSJ names of individual levels is non–trivial. In the spectrum of Ne II, for example, the lowest excited 2s 2p6 2S term arise high–up in the theoretical level structure even for moderate configuration expansions of the wave functions and, thus, may lead to misassignments in calculating atomic properties. To support spectroscopic studies by means of relavistic structure calculations, therefore, a reliable and efficient method for deriving the leading LSJ terms from a jj−coupled basis is highly desirable. In this contribution, we present an effective method for the jj–LS transformation or relativistic configuration functions, based on the Racah package[1,2]. New developments to this package help deriving the recoupling matrices and, thus, to perform a general transformation of a given jj−coupled basis. This transformation also utilizes the reduced coefficients of fractional parentage which have recently been implemented[3].
[1] S. Fritzsche, Comp. Phys. Commun. 103, 51 (1997).
[2] S. Fritzsche, S. Varga, D. Geschke and B. Fricke, Comput. Phys. Commun. 111 167 (1998).
[3] G. Gaigalas and S. Fritzsche, Comput. Phys. Commun. in print (2001).