Spectroscopic LSJ notation for atomic levels obtained from relativistic calculations

Abstract Today, relativistic calculations are known to provide a very successful means in the study of open-shell atoms and ions. But although accurate atomic data are obtained from these computations, they are traditionally carried out in jj-coupling and, hence, do often not allow for a simple LSJ classification of the atomic levels as needed by experiment. In fact, this lack of providing a proper spectroscopic notation from relativistic structure calculations has recently hampered not only the spect... Title of program: LSJ Catalogue Id: ADTL_v1_0 Nature of problem The spectroscopic LSJ notation is determined for atomic levels which were calculated previously in the framework of the jj-coupled multiconfiguration Dirac-Fock (MCDF) model. This notation is based on a complete jj-LS transformation of the leading jj-coupled configuration state functions (CSF) in the wave function representation of the selected levels. Versions of this program held in the CPC repository in Mendeley Data ADTL_v1_0; LSJ; 10.1016/S0010-4655(03)00518-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)