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

Callow, Timothy James; Pearce, Benjamin

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

Callow, T. J.; Pearce, B.
Supervisor: Gidopoulos, Nikitas

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.

Related publications

DOI: 10.1063/5.0071991 references this (Id 34357) publication
Density functionals with spin-density accuracy for open shells
ROBIS: 33603 references this (Id 34357) publication
Density functionals with spin-density accuracy for open shells
URL: https://aip.scitation.org/doi/10.1063/5.0071991 references this (Id 34357) publication
Density functionals with spin-density accuracy for open shells
ROBIS: 33603 has used this (Id 34357) publication of HZDR-primary research data

Reseach data in the HZDR data repository RODARE
Publication date: 2022-03-08 Open access
DOI: 10.14278/rodare.1403
Versions: 10.14278/rodare.1404
License: CC-BY-4.0

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Veröffentlichung im HZDR-Daten-Repository RODARE - Id 1403

Permalink: https://www.hzdr.de/publications/Publ-34357