Berlin 2001 – wissenschaftliches Programm

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A: Atomphysik

A 17: Posters Friday (Spectroscopy)

A 17.46: Poster

Freitag, 6. April 2001, 12:30–15:00, AT3

RATIP — A relativistic tool for studying the structure and properties of open–shell atoms — •S. Fritzsche¹ and G. Gaigalas² — ¹Fachbereich Physik, Universität Kassel, D–34132 Kassel — ²Institute of Theoretical Physics and Astronomy, Vilnius 2600, Lithuania.

During recent years, the Ratip program [1] for calculating (relativistic atomic) transition and ionization properties has been applied successfully in a number of case studies. A series of large–scale computations on the optical spectra and lifetimes, in particular, showed that accurate predictions are possible today even for open–shell ions, if the effects of relativity and many–particle correlations are treated consistently on the same theoretical basis. The Ratip package applies multiconfiguration Dirac–Fock wave functions [2] and, thus, is well suited for the study of all light to heavy elements in the periodic table. The present form of the Ratip package supports computations on a variety of properties, including the interaction of atoms with the radiation field and withs electrons in the continuum. Detailed investigations can be carried out for Einstein coefficients, branching ratios, lifetimes as well as Auger intensities and angular distribution parameters. Recently, much emphasize was paid to the study of the alignment transfer in two–step Auger cascades [3]. In this paper, we demonstrate and discuss the main features of the Ratip program for both, atoms with a simple shell structure but also for open d− and f−shell elements.

[1] S. Fritzsche, C. Froese Fischer, C. Z. Dong, Comput. Phys. Commun. 124 (2000) 340; S. Fritzsche, J. Elec. Spec. Rel. Phen. (2001) in press.

[2] F. A. Parpia, C. Froese Fischer, I. P. Grant, Comput. Phys. Commun. 94 (1996) 249.

[3] K. Ueda, Y. Shimizu, H. Chiba, M. Kitajima, H. Tanaka, S. Fritzsche and N. M. Kabachnik, J. Phys.B34 (2001) 107.