JJGEN: A flexible program for generating lists of jj-coupled configuration state functions
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Abstract
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 jj-coupled configuration state functions to be used as input to the grasp2K multiconfiguration Dirac–Hartree–Fock package ...
Title of program: JJGEN
Catalogue Id: ADZG_v1_0
Nature of problem
Generation of lists of jj-coupled configuration state functions to describe different electron correlation effects in many-electron atoms.
Versions of this program held in the CPC repository in Mendeley Data
ADZG_v1_0; JJGEN; 10.1016/j.cpc.2007.05.013
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
