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Hydrogen quantum effects in hydride LaNi(5)H(7)
Energy eigenvalues and wave functions of hydrogen atoms in hydride LaNi(5)H(7) are calculated. First-principles electronic structure calculations are employed to obtain the three-dimensional potential energy structure of each hydrogen site. These quantum effects are not negligibly small in evaluatio...
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| Hoofdauteurs: | , , , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
American Institute of Physics
2011
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3203120/ https://ncbi.nlm.nih.gov/pubmed/22065890 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3642942 |
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