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| Format: | Recurso digital |
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Zenodo
2026
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| Online Access: | https://doi.org/10.5281/zenodo.19555685 |
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| _version_ | 1866902086584631296 |
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| author | Mikkelsen, Jonas Jensen, Frank |
| author_facet | Mikkelsen, Jonas Jensen, Frank |
| contents | <p>Supporting data for the paper by Mikkelsen, J. E. S.; Reine, S.; Pedersen, T. B. and Jensen, F.</p> <p>The repository contains the geometries, parsed results, and representative input files. The folder are structured based on the figures and tables in the paper, and they each contain:</p> <ul> <li>geometries/: xyz files, one per calculation point</li> <li>results/: JSON files with parsed results including calculation metadata</li> </ul> <p>The metadata is explained further in further detail in the included README.md, which also links to the Dalton verison used for the calculations and the parser used to generate the JSON files.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19555685 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Data for "Extending Atom-Atom Polarizabilities to Frequency-Dependent Coupled Cluster and MCSCF Response" Mikkelsen, Jonas Jensen, Frank Distributed polarizabilities Bond capacity <p>Supporting data for the paper by Mikkelsen, J. E. S.; Reine, S.; Pedersen, T. B. and Jensen, F.</p> <p>The repository contains the geometries, parsed results, and representative input files. The folder are structured based on the figures and tables in the paper, and they each contain:</p> <ul> <li>geometries/: xyz files, one per calculation point</li> <li>results/: JSON files with parsed results including calculation metadata</li> </ul> <p>The metadata is explained further in further detail in the included README.md, which also links to the Dalton verison used for the calculations and the parser used to generate the JSON files.</p> |
| title | Data for "Extending Atom-Atom Polarizabilities to Frequency-Dependent Coupled Cluster and MCSCF Response" |
| topic | Distributed polarizabilities Bond capacity |
| url | https://doi.org/10.5281/zenodo.19555685 |