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The Bethe–Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features
The Bethe–Salpeter equation (BSE) formalism has been recently shown to be a valuable alternative to time-dependent density functional theory (TD-DFT) with the same computing time scaling with system size. In particular, problematic transitions for TD-DFT such as charge-transfer, Rydberg and cyanine-...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956976/ https://www.ncbi.nlm.nih.gov/pubmed/29896384 http://dx.doi.org/10.1039/c8sc00529j |