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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-...
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| Udgivet i: | Chem Sci |
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| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Royal Society of Chemistry
2018
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5956976/ https://ncbi.nlm.nih.gov/pubmed/29896384 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8sc00529j |
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