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Electron correlation in Li(+), He, H(−) and the critical nuclear charge system Z(C): energies, densities and Coulomb holes
This paper presents high-accuracy correlation energies, intracule densities and Coulomb hole(s) for the lithium cation, helium, hydride ion and the system with the critical nuclear charge, Z(C), for binding two electrons. The fully correlated (FC) wave function and the Hartree–Fock (HF) wave functio...
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| Publicado no: | R Soc Open Sci |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6366201/ https://ncbi.nlm.nih.gov/pubmed/30800382 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsos.181357 |
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