Spectroscopic LSJ notation for atomic levels obtained from relativistic calculations
摘要
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 spectroscopy of medium and heavy elements, but also the interpretation and analysis of inner-shell processes, for which the occurrence of additional vacancies usually leads to a very detailed fine structure. Therefore, in order to facilitate the classification of atomic levels from such computations, here we present a program (within the Ratip environment) which help transform the atomic wave functions from jj-coupled multiconfiguration Dirac-Fock computations into a LS-coupled representation. Beside of a proper LSJ assignment to the atomic levels, the program also supports the full transformation of the wave functions if required for (nonrelativistic) computations.
引用
@article{arxiv.physics/0406006,
title = {Spectroscopic LSJ notation for atomic levels obtained from relativistic calculations},
author = {G. Gaigalas and T. Zalandauskas and S. Fritzsche},
journal= {arXiv preprint arXiv:physics/0406006},
year = {2009}
}