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

DOI10.1016/J.CPC.2018.03.017OpenAlexW2795811687MaRDI QIDQ2102489FDOQ2102489

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

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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)

Cites Work

• New version: GRASP2K relativistic atomic structure package

Cited In (6)

• An atomic program for energy levels of equivalent electrons: Lanthanides and actinides
• Title not available (Why is that?)
• Calculation of reduced coefficients and matrix elements in \(jj\)-coupling
• An atomic Dirac-Fock-Roothaan program
• The beauty of spinors
• Nonrelativistic numerical MCSCF for atoms

Uses Software

• grasp2k

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