Performance of Multilevel Methods for Excited States

[Image: see text] The performance of multilevel quantum chemical approaches, which utilize an atom-based system partitioning scheme to model various electronic excited states, is studied. The considered techniques include the mechanical-embedding (ME) of “our own N-layered integrated molecular orbit...

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Detalles Bibliográficos
Autores principales: Hégely, Bence, Szirmai, Ádám B., Mester, Dávid, Tajti, Attila, Szalay, Péter G., Kállay, Mihály
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9511572/
https://www.ncbi.nlm.nih.gov/pubmed/36095318
http://dx.doi.org/10.1021/acs.jpca.2c05013

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9511572/
https://www.ncbi.nlm.nih.gov/pubmed/36095318
http://dx.doi.org/10.1021/acs.jpca.2c05013

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