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Electron Trap Depths in Cubic Lutetium Oxide Doped with Pr and Ti, Zr or Hf—From Ab Initio Multiconfigurational Calculations
[Image: see text] We propose a universal approach to model intervalence charge transfer (IVCT) and metal-to-metal charge transfer (MMCT) transitions between ions in solids. The approach relies on already well-known and reliable ab initio RASSCF/CASPT2/RASSI-SO calculations for a series of emission c...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10240500/ https://www.ncbi.nlm.nih.gov/pubmed/37196340 http://dx.doi.org/10.1021/acs.jpca.2c07979 |