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Spin-Conserved and Spin-Flip Optical Excitations from the Bethe–Salpeter Equation Formalism
[Image: see text] Like adiabatic time-dependent density-functional theory (TD-DFT), the Bethe–Salpeter equation (BSE) formalism of many-body perturbation theory, in its static approximation, is “blind” to double (and higher) excitations, which are ubiquitous, for example, in conjugated molecules lik...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2021
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8154368/ https://ncbi.nlm.nih.gov/pubmed/33724811 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.1c00074 |
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