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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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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Duchemin, Ivan, Guido, Ciro A., Jacquemin, Denis, Blase, Xavier
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2018
Assuntos:
Acesso em linha: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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