This work describes some computer programs that are available in compiled form for users of the SGI Power Challenge machine at Poznań Supercomputing and Networking Center. These programs give apossibility to solve very complex problems in the structure of free atoms using experimental data. The procedure of determination of the Slater integrals, spin-orbit parameters and also the parameters representingthe effect of virtual excitations (many-body effects) is described. The program gives the propositions of the spectroscopic designations of energy levels. Moreover, the wavefunctions in intermediate coupling scheme in many-configurations approximation for the selected configuration system can be obtained.
Jul 29, 2014
May 22, 2014
|Computational Package for Analysis of The Fine Structure of a Free Atom
|Jul 29, 2014