Hierarchy Configuration Interaction: Combining Seniority Number and Excitation Degree

[Image: see text] We propose a novel partitioning of the Hilbert space, hierarchy configuration interaction (hCI), where the excitation degree (with respect to a given reference determinant) and the seniority number (i.e., the number of unpaired electrons) are combined in a single hierarchy paramete...

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Detalles Bibliográficos
Autores principales: Kossoski, Fábris, Damour, Yann, Loos, Pierre-François
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9125689/
https://www.ncbi.nlm.nih.gov/pubmed/35537704
http://dx.doi.org/10.1021/acs.jpclett.2c00730

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9125689/
https://www.ncbi.nlm.nih.gov/pubmed/35537704
http://dx.doi.org/10.1021/acs.jpclett.2c00730

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