The Coulomb Hole of the Ne Atom

We analyze the Coulomb hole of Ne from highly‐accurate CISD wave functions obtained from optimized even‐tempered basis sets. Using a two‐fold extrapolation procedure we obtain highly accurate results that recover 97 % of the correlation energy. We confirm the existence of a shoulder in the short‐ran...

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Detalles Bibliográficos
Autores principales: Rodríguez‐Mayorga, Mauricio, Ramos‐Cordoba, Eloy, Lopez, Xabier, Solà, Miquel, Ugalde, Jesus M., Matito, Eduard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6442706/
https://www.ncbi.nlm.nih.gov/pubmed/30976484
http://dx.doi.org/10.1002/open.201800235

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6442706/
https://www.ncbi.nlm.nih.gov/pubmed/30976484
http://dx.doi.org/10.1002/open.201800235

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