A generic procedure for determining atomic LS spectral terms and their LS eigenfunctions
Authors:
Xiong Zhuang and Bacalis N C
Affiliation:
AMS Research Center, Southeast University,Nanjing 210096, China; Theoretical and Physical Chemistry Institute, NationalHellenic Research Foundation, Vasileos Constantinou 48,GR-11635 Athens, Greece
Abstract:
This paper develops a Fortran code which is capable to constructthe simplest LS eigenfunctions for desired symmetry and determineall permitted atomic LS spectral terms under a given orbitaloccupancy by implementing and extending the Schaefer and Harrismethod. Examples (in some cases the most complete set to date) ofmultiple spectroscopic terms of LS coupling of atomic states forboth non-equivalent and equivalent electronic configurations aregiven. It also corrects a few observed errors from the recentliterature.