GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
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DOI | https://doi.org/10.18710/0EM0EL |
Metadata Access | https://dataverse.no/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18710/0EM0EL |
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Resource Type | Dataset |
Format | text/plain; application/pdf |
Size | 9896; 12269; 104384; 99690; 106522; 17934; 139393; 131585; 147558; 987; 195691; 82869 |
Version | 3.1 |
Discipline | Chemistry; Natural Sciences; Physics |