Data for: Cross-luminescence in BaF2 crystals doped with M3+ and RE3+ ions: hybrid density functional theory study.
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| Natura: | Recurso digital |
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Zenodo
2024
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| _version_ | 1866902026328211456 |
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| author | Platonenko, Aleksandrs Pankratov, Vladimir |
| author_facet | Platonenko, Aleksandrs Pankratov, Vladimir |
| contents | <p>Dataset contains output files and wavefunctions produced by CRYSTAL23 code, used in "Cross-luminescence in BaF2 crystals doped with M3+ and RE3+ ions: hybrid density functional theory study."</p> <p><strong>Folders:</strong></p> <p><strong>D-elements:</strong> outputs and wavefunctions for d-element dopants in BaF2</p> <p><strong>Lanthanides: </strong>outputs and wavefunctions for lanthanide dopants in BaF2</p> <p><strong>DOS: </strong>Density of States for all studied systems</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_13938544 |
| institution | Zenodo |
| language | |
| publishDate | 2024 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Data for: Cross-luminescence in BaF2 crystals doped with M3+ and RE3+ ions: hybrid density functional theory study. Platonenko, Aleksandrs Pankratov, Vladimir Crystals Quantum chemistry scintillators cross-luminescence <p>Dataset contains output files and wavefunctions produced by CRYSTAL23 code, used in "Cross-luminescence in BaF2 crystals doped with M3+ and RE3+ ions: hybrid density functional theory study."</p> <p><strong>Folders:</strong></p> <p><strong>D-elements:</strong> outputs and wavefunctions for d-element dopants in BaF2</p> <p><strong>Lanthanides: </strong>outputs and wavefunctions for lanthanide dopants in BaF2</p> <p><strong>DOS: </strong>Density of States for all studied systems</p> |
| title | Data for: Cross-luminescence in BaF2 crystals doped with M3+ and RE3+ ions: hybrid density functional theory study. |
| topic | Crystals Quantum chemistry scintillators cross-luminescence |
| url | https://doi.org/10.5281/zenodo.13938544 |