X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li2CO3
Data and input files for "X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li_2CO_3".
Contents:
1. Inputs and outputs for calculations of ground-state DFT & GW are in the the ABI directory
2. Inputs and outputs for the MD simulations are in the MD directory
3. Inputs and outputs for the X-ray calculations are in the Xray directory
4. Experimental data are in the Expt directory
Plotting scripts for producing the figures are also included
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Complete Metadata
| @type | dcat:Dataset |
|---|---|
| accessLevel | public |
| accrualPeriodicity | irregular |
| bureauCode |
[ "006:55" ] |
| contactPoint |
{ "fn": "John Vinson", "hasEmail": "mailto:john.vinson@nist.gov" } |
| description | Data and input files for "X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li_2CO_3". Contents: 1. Inputs and outputs for calculations of ground-state DFT & GW are in the the ABI directory 2. Inputs and outputs for the MD simulations are in the MD directory 3. Inputs and outputs for the X-ray calculations are in the Xray directory 4. Experimental data are in the Expt directory Plotting scripts for producing the figures are also included |
| distribution |
[ { "title": "README file", "mediaType": "text/plain", "description": "Description of data set", "downloadURL": "https://data.nist.gov/od/ds/mds2-4167/README.txt" }, { "title": "Data", "mediaType": "application/gzip", "description": "Experimental results; inputs and outputs for calculations", "downloadURL": "https://data.nist.gov/od/ds/mds2-4167/LiCO3_data.tgz" } ] |
| identifier | ark:/88434/mds2-4167 |
| issued | 2026-07-09 |
| keyword |
[ "X-ray absorption", "x-ray emission" ] |
| landingPage | https://data.nist.gov/od/id/mds2-4167 |
| language |
[ "en" ] |
| license | https://www.nist.gov/open/license |
| modified | 2026-04-14 00:00:00 |
| programCode |
[ "006:045" ] |
| publisher |
{ "name": "National Institute of Standards and Technology", "@type": "org:Organization" } |
| references |
[ "https://doi.org/10.48550/arXiv.2604.13228" ] |
| theme |
[ "Chemistry:Theoretical chemistry and modeling", "Materials:Materials characterization", "Materials:Modeling and computational material science", "Physics:Condensed matter", "Physics:Spectroscopy" ] |
| title | X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li2CO3 |
