Data · dataset · 2025
Test data for the rhodent package
Listed in Researchdata.se
This record contains data that is required by some of the unit- and integration tests of the rhodent package.
Description
The data is generated using density functional theory (DFT) and real-time time-dependent DFT (rt-TDDFT) for systems consisting of hydrogen dimers, linear chains of sodium atoms, and linear chains of silver atoms. The GPAW code is used for the calculations.
The data consists of ground state wave functions, the Fourier transform of Kohn-Sham density matrices in response to a delta-kick, and the time-evolution of the wave functions in response to a sinc-shaped pulse.
Links
Where it is published
- DOI doi.org/10.5281/zenodo.14832607 ↗
DOI / persistent id · from researchdata se
Catalogue records · 1
- OAI-PMH record api.researchdata.se/oai-pmh?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3A… ↗
metadata API · from researchdata se
Topics
- From keywords
- Earth & Environmental Science · Physics
- Inferred from text
- Density functional theory 75%
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Researchdata.se | oai:researchdata.se:doi-10-5281-zenodo-14832607/0 | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata se | connector:researchdata_se@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata se | connector:researchdata_se@1.0.0 | |
| concepts[field].local:field:physics | mapping · researchdata se | vocabulary-mapper@1.0.0 | keywords['Physical Sciences'] |
| concepts[method].local:method:dft | enrichment · researchdata se | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · researchdata se | connector:researchdata_se@1.0.0 | /metadata/dc/description |
| license_text | source · researchdata se | connector:researchdata_se@1.0.0 | |
| publication_date | source · researchdata se | connector:researchdata_se@1.0.0 | |
| title | source · researchdata se | connector:researchdata_se@1.0.0 | /metadata/dc/title |