JJGEN: A flexible program for generating lists of j j-coupled configuration state functions
Research output: Contribution to journal › Article
The success of large scale relativistic multiconfiguration Dirac-Hartree-Fock calculations for atomic systems rely on judiciously chosen configuration expansions. Dependent on the atomic system as well as on the studied properties, various correlation effects need to be considered. Based on the active set approach, this program allows the user to generate general lists of j j-coupled configuration state functions to be used as input to the grasp2K multiconfiguration Dirac-Hartree-Fock package [P Jonsson, X. He, C. Froese Fischer, I.P. Grant, Comput. Phys. Comm. (2007), in press].
|Research areas and keywords||
Subject classification (UKÄ) – MANDATORY
|Journal||Computer Physics Communications|
|Publication status||Published - 2007|