A carregar...
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...
Na minha lista:
| Publicado no: | ChemistryOpen |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2019
|
| Assuntos: | |
| Acesso em linha: | 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 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|