Triplet Excited States with Multilevel Coupled Cluster Theory

[Image: see text] We extend the multilevel coupled cluster framework with triplet excitation energies at the singles and perturbative doubles (MLCC2) and singles and doubles (MLCCSD) levels of theory. In multilevel coupled cluster theory, we partition the orbitals and restrict the higher-order excit...

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Detalles Bibliográficos
Autores principales: Folkestad, Sarai Dery, Koch, Henrik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687868/
https://www.ncbi.nlm.nih.gov/pubmed/37966896
http://dx.doi.org/10.1021/acs.jctc.3c00763

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687868/
https://www.ncbi.nlm.nih.gov/pubmed/37966896
http://dx.doi.org/10.1021/acs.jctc.3c00763

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