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Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion
[Image: see text] We use two different ab initio quantum mechanics methods, complete active space self-consistent field theory applied to electrostatically embedded clusters and periodic many-body G(0)W(0) calculations, to reanalyze the states formed in nickel(II) oxide upon electron addition and io...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Chemical
Society
2014
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| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4113244/ https://ncbi.nlm.nih.gov/pubmed/24689856 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp500878s |
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