Reducing the computational load -- atomic multiconfiguration calculations based on configuration state function generators

DOI10.1016/J.CPC.2022.108562MaRDI QIDQ6155944zbMATH OpenFDO

Authors

Publication date 7 June 2023

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

zbMATH Keywords

condensationBreit interactionconfiguration interactionspin-angular integrationconfiguration state function generators

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX) Quantum theory (81-XX)

Cites work

• scientific article; zbMATH DE number 1043685 (Why is no real title available?)
• A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix
• New version: GRASP2K relativistic atomic structure package
• On a screening theory of atomic spectra

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