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Performance of Multilevel Methods for Excited States
[Image: see text] The performance of multilevel quantum chemical approaches, which utilize an atom-based system partitioning scheme to model various electronic excited states, is studied. The considered techniques include the mechanical-embedding (ME) of “our own N-layered integrated molecular orbit...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9511572/ https://www.ncbi.nlm.nih.gov/pubmed/36095318 http://dx.doi.org/10.1021/acs.jpca.2c05013 |