Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3

[Image: see text] We present an efficient implementation of the equation of motion oscillator strengths for the closed-shell multilevel coupled cluster singles and doubles with perturbative triples method (MLCC3) in the electronic structure program e(T). The orbital space is split into an active par...

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Detalles Bibliográficos
Autores principales: Paul, Alexander C., Folkestad, Sarai Dery, Myhre, Rolf H., Koch, Henrik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9476665/
https://www.ncbi.nlm.nih.gov/pubmed/35921447
http://dx.doi.org/10.1021/acs.jctc.2c00164

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9476665/
https://www.ncbi.nlm.nih.gov/pubmed/35921447
http://dx.doi.org/10.1021/acs.jctc.2c00164

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