jj-coupling-based atomic self-consistent-field calculations with relativistic effective core potentials and two-component spinors

DOI10.1016/J.CPC.2018.03.017MaRDI QIDQ2102489OpenAlexFDO

Authors Walter C. Ermler

Publication date 28 November 2022

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

Full work available at URL https://doi.org/10.1016/j.cpc.2018.03.017

zbMATH Keywords

vector coupling coefficientsatomic self-consistent field theoryjj-couplingRECPs databaserelativistic effective core potentialsspinor basis setsspinor basis sets database

Mathematics Subject Classification ID

Atomic physics (81V45)

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Cites work

• New version: GRASP2K relativistic atomic structure package

Cited in

(8)

• An atomic Dirac-Fock-Roothaan program
• Nonrelativistic numerical MCSCF for atoms
• scientific article; zbMATH DE number 6829957 (Why is no real title available?)
• \texttt{JJGEN}: A flexible program for generating lists of \(jj\)-coupled configuration state functions
• Calculation of reduced coefficients and matrix elements in \(jj\)-coupling
• RELCI: A program for relativistic configuration interaction calculations
• An atomic program for energy levels of equivalent electrons: Lanthanides and actinides
• The beauty of spinors

Describes a project that uses

Uses Software

• grasp2k

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