Varying Electronic Configurations in Compressed Atoms: From the Role of the Spatial Extension of Atomic Orbitals to the Change of Electronic Configuration as an Isobaric Transformation

[Image: see text] A quantum chemical model for the study of the electronic structure of compressed atoms lends itself to a perturbation-theoretic analysis. It is shown, both analytically and numerically, that the increase of the electronic energy with increasing compression depends on the electronic...

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Detalles Bibliográficos
Autores principales: Cammi, Roberto, Rahm, Martin, Hoffmann, Roald, Ashcroft, N. W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8008388/
https://www.ncbi.nlm.nih.gov/pubmed/32551592
http://dx.doi.org/10.1021/acs.jctc.0c00443

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8008388/
https://www.ncbi.nlm.nih.gov/pubmed/32551592
http://dx.doi.org/10.1021/acs.jctc.0c00443

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