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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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| Pubblicato in: | ChemistryOpen |
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| Autori principali: | , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
John Wiley and Sons Inc.
2019
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| Soggetti: | |
| Accesso online: | 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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