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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4113244/ https://www.ncbi.nlm.nih.gov/pubmed/24689856 http://dx.doi.org/10.1021/jp500878s |