Data associated with the publication 'Stochastic density functional theory for ions in a polar solvent'

DOI

These files contain the data that were generated to produced the plots shown on Figures 1 and 2 in our manuscript 'Stochastic density functional theory for ions in a polar solvent'. Each folder corresponds to one subfigure (1, 2a, 2b, 2c, 2d). The data was produced using the explicit formulae obtained from the stochastic density functional theory that is described in the associated manuscript. The numerical parameters are given in the Supplemental Material. We used the software Maple for the numerical evaluations of the formulae.

Identifier
DOI https://doi.org/10.57745/T0UQ4A
Metadata Access https://entrepot.recherche.data.gouv.fr/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.57745/T0UQ4A
Provenance
Creator ILLIEN, Pierre ORCID logo; CAROF, Antoine ORCID logo; ROTENBERG, Benjamin ORCID logo
Publisher Recherche Data Gouv
Contributor ILLIEN, Pierre; CAROF, Antoine; Centre national de la recherche scientifique; Sorbonne Université; Entrepôt-Catalogue Recherche Data Gouv
Publication Year 2024
Rights etalab 2.0; info:eu-repo/semantics/openAccess; https://spdx.org/licenses/etalab-2.0.html
OpenAccess true
Contact ILLIEN, Pierre (PHENIX, UMR 8234 ; CNRS ; Sorbonne Université ; France.); CAROF, Antoine (LPCT, UMR 7019 ; CNRS ; Université de Lorraine ; France.)
Representation
Resource Type Dataset
Format text/x-fixed-field
Size 2600; 10000; 700; 50053; 75062; 3100; 62550; 15026
Version 1.1
Discipline Chemistry; Physics; Natural Sciences