JJ2LSJ transformation and unique labeling for energy levels

Abstract

The JJ2LSJ program, which is important not only for the GRASP2K package but for the atom theory in general, is presented. The program performs the transformation of atomic state functions (ASFs) from a jj-coupled CSF basis into an LSJ-coupled CSF basis. In addition, the program implements a procedure that assigns a unique label to all energy levels. Examples of how to use the JJ2LSJ program are given. Several cases are presented where there is a unique labeling problem.