\texttt{JJGEN}: A flexible program for generating lists of jj-coupled configuration state functions

DOI10.1016/J.CPC.2007.05.013zbMATH Open1196.81076OpenAlexW2018202187MaRDI QIDQ710170FDOQ710170

Authors: L. Sturesson, P. Jönsson, Charlotte Froese Fischer 

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2007.05.013

Recommendations

• jj-coupling-based atomic self-consistent-field calculations with relativistic effective core potentials and two-component spinors
• Calculation of reduced coefficients and matrix elements in \(jj\)-coupling
• The grasp2k relativistic atomic structure package
• New version: GRASP2K relativistic atomic structure package
• Program to calculate pure angular momentum coefficients in \(jj\)-coupling

zbMATH Keywords

active setpair correlationelectron correlation\(jj\)-coupled configuration state functions\texttt{JJGEN}active orbitalsactive spacecomplete active spaceconfiguration expansioncore-core correlationcore-valence correlationinactive orbitalsmulticonfiguration Dirac-Hartree-Fockmultireference setreference setrestricted active spacevalence correlation

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08)

Cited In (1)

• JJGEN

Uses Software

• grasp2k

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