Data publication: Density functionals with spin-density accuracy for open shells

DOI

Data for the figures of the main paper (https://aip.scitation.org/doi/10.1063/5.0071991) and supplementary information, arranged by figure number.

Notes: - A few energies are given as identically zero. These are not actually zero but did not converge. - All data is given in the units in which it appears in the paper, and columns are labelled using the same notation as in the paper.

Identifier
DOI https://doi.org/10.14278/rodare.1404
Related Identifier https://doi.org/10.1063/5.0071991
Related Identifier https://aip.scitation.org/doi/10.1063/5.0071991
Related Identifier https://www.hzdr.de/publications/Publ-33603
Related Identifier https://www.hzdr.de/publications/Publ-34357
Related Identifier https://doi.org/10.14278/rodare.1403
Related Identifier https://rodare.hzdr.de/communities/casus
Related Identifier https://rodare.hzdr.de/communities/matter
Related Identifier https://rodare.hzdr.de/communities/rodare
Metadata Access https://rodare.hzdr.de/oai2d?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:rodare.hzdr.de:1404
Provenance
Creator Callow, Timothy James ORCID logo; Pearce, Benjamin
Publisher Rodare
Contributor Gidopoulos, Nikitas
Publication Year 2022
Rights Creative Commons Attribution 4.0 International; Open Access; https://creativecommons.org/licenses/by/4.0/legalcode; info:eu-repo/semantics/openAccess
OpenAccess true
Contact https://rodare.hzdr.de/support
Representation
Resource Type Dataset
Discipline Life Sciences; Natural Sciences; Engineering Sciences