Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-couplin.pdfVIP

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Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-couplin.pdf

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Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-couplin

a r X i v : p h y s i c s / 0 4 0 5 1 3 6 v 2 [ p h y s i c s .a t o m - p h ] 3 1 M a y 2 0 0 4 Pure spin–angular momentum coefficients for non–scalar one–particle operators in jj–coupling? G. Gaigalas a and S. Fritzsche b ? a Institute of Theoretical Physics and Astronomy, A. Gos?tauto 12, Vilnius 2600, Lithuania. b Fachbereich Physik, Universita?t Kassel, Heinrich–Plett–Str. 40, D – 34132 Kassel, Germany. February 2, 2008 Abstract A revised program for generating the spin–angular coefficients in relativistic atomic structure calculations is presented. When compared with our previous version [G. Gai- galas, S. Fritzsche and I. P. Grant, CPC 139 (2001) 263], the new version of the Anco program now provides these coefficients for both, scalar as well as non–scalar one–particle operators as they arise frequently in the study of transition probabilities, photoionization and electron capture processes, the alignment transfer through excited atomic states, collision strengths, and in many other investigations. The program is based on a recently developed formalism [G. Gaigalas, Z. Rudzikas, and C. F. Fischer, J. Phys. B 30 (1997) 3747], which combines techniques from second quantization in coupled tensorial form, the theory of quasispin, and the use of reduced coefficients of fractional parentage, in order to derive the spin–angular coefficients for complex atomic shell structures more efficiently. By making this approach now available also for non–scalar interactions, therefore, studies on a whole field of new properties and processes are likely to become possible even for atoms and ions with a complex structure. ?Submitted as: New Version Announcement ?Email: s.fritzsche@physik.uni-kassel.de NEW VERSION SUMMARY Title of program: ANCO(2) Catalogue number: ADQO Program Summary URL: http://cpc.cs.qub.ac.uk/summaries/ADQO Program obtainable from: CPC Program Library, Queen’s University of Belfast, N. Ireland. Catalogue identifier of previous version: ADOO [1]; tit