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Accurate Absolute and Relative Core-Level Binding Energies from GW
[Image: see text] We present an accurate approach to compute X-ray photoelectron spectra based on the GW Green’s function method that overcomes the shortcomings of common density functional theory approaches. GW has become a popular tool to compute valence excitations for a wide range of materials....
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7735733/ https://www.ncbi.nlm.nih.gov/pubmed/32043890 http://dx.doi.org/10.1021/acs.jpclett.9b03423 |