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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Detaylı Bibliyografya
Yayımlandı:ChemistryOpen
Asıl Yazarlar: Rodríguez‐Mayorga, Mauricio, Ramos‐Cordoba, Eloy, Lopez, Xabier, Solà, Miquel, Ugalde, Jesus M., Matito, Eduard
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: John Wiley and Sons Inc. 2019
Konular:
Full Papers
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC6442706/
https://ncbi.nlm.nih.gov/pubmed/30976484
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201800235
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