knut0815/irredls

Irreducible angular momentum and spin eigenspaces on atomic subshells

Irreducible angular momentum and spin eigenspaces on atomic subshells

Mathematica implementation of the algorithm described in the paper Efficient algorithm for many-electron angular momentum and spin diagonalization on atomic subshells, see Ref. 1 below.

The main code resides in the Mathematica package irredLSbase.m, and the computations are performed in the notebook irredLS.nb. This notebook requires the FermiFab toolbox (see Ref. 2) and stores the results in irredLS.m.

The files fermi2latex.m and irredLSlatex.nb generate the Latex tables of the eigenspaces in the tables subfolder.

License

Copyright (c) 2009-2014, Christian B. Mendl
All rights reserved.
http://christian.mendl.net

This program is free software; you can redistribute it and/or modify it under the terms of the Simplified BSD License http://www.opensource.org/licenses/bsd-license.php

References

1. Christian B. Mendl
   Efficient algorithm for many-electron angular momentum and spin diagonalization on atomic subshells
   preprint arXiv:1409.6860 (2014)
2. Christian B. Mendl
   The FermiFab toolbox for fermionic many-particle quantum systems
   Comput. Phys. Commun. 182, 1327-1337 (2011), arXiv:1103.0872
   URL http://sourceforge.net/projects/fermifab