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dc.contributor.authorScott, Charlesen
dc.contributor.authorDi Remigio, Robertoen
dc.contributor.authorCrawford, T Danielen
dc.contributor.authorThom, AJWen
dc.date.accessioned2019-02-12T13:55:02Z
dc.date.available2019-02-12T13:55:02Z
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/289295
dc.descriptionResearch data supporting "Diagrammatic Coupled Cluster Monte Carlo" paper. This includes all output files for diagrammatic Coupled Cluster Monte Carlo simulations performed upon the nitrogen molecule with a internuclear separation of 3.6Bohr in STO-3G and 6-31G basis sets. The remaining results within the paper and the code used to generate these results can be found at https://doi.org/10.17863/CAM.34952, and we refer to this deposit for additional clarification on the topic covered. All energies are in atomic units (Hartrees).en
dc.formatThe python code used to generate these results can be found at https://doi.org/10.17863/CAM.34952en
dc.rightsAttribution-ShareAlike 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by-sa/4.0/en
dc.subjectCoupled Clusteren
dc.subjectQuantum Monte Carloen
dc.subjectElectronic Structureen
dc.titleAdditional Research Data supporting "Diagrammatic Coupled Cluster Monte Carlo"en
dc.typeDataset
dc.identifier.doi10.17863/CAM.36097
rioxxterms.licenseref.urihttp://creativecommons.org/licenses/by-sa/4.0/en
datacite.contributor.supervisorThom, Alex
dcterms.formatplain text files.en
dc.contributor.orcidScott, Charles [0000-0001-9277-8327]
dcterms.relationhttps://doi.org/10.17863/CAM.34952en
rioxxterms.typeOtheren
pubs.funder-project-idRoyal Society (uf110161)
pubs.funder-project-idRoyal Society (UF160398)
datacite.issupplementto.doi10.1021/acs.jpclett.9b00067en
datacite.issupplementto.urlhttps://www.repository.cam.ac.uk/handle/1810/289536


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Attribution-ShareAlike 4.0 International
Except where otherwise noted, this item's licence is described as Attribution-ShareAlike 4.0 International