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Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach

[Image: see text] In this work ground and excited electronic states of Heisenberg cluster models, in the form of configuration interaction many-body wave functions, are characterized within the spin-adapted Graphical Unitary Group Approach framework, and relying on a novel combined unitary and symme...

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Detalles Bibliográficos
Autores principales: Li Manni, Giovanni, Kats, Daniel, Liebermann, Niklas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979614/
https://www.ncbi.nlm.nih.gov/pubmed/36735906
http://dx.doi.org/10.1021/acs.jctc.2c01132