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Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction
[Image: see text] Electron and charge transfers are part of many vital processes in nature and technology. Ab initio descriptions of these processes provide useful insights that can be utilized for applications. A combination of the embedded cluster material model and nonorthogonal configuration int...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7222100/ https://www.ncbi.nlm.nih.gov/pubmed/32279493 http://dx.doi.org/10.1021/acs.jctc.9b01144 |