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

DOI10.1016/J.CPC.2007.05.013MaRDI QIDQ710170zbMATH OpenOpenAlexFDO

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

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)

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

Cited in

(2)

• JJGEN
• New version: GRASP2K relativistic atomic structure package

Describes a project that uses

Uses Software

• grasp2k

This page was built for publication: \texttt{JJGEN}: A flexible program for generating lists of \(jj\)-coupled configuration state functions

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q710170)