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A Fully Linear Response G(0)W(0) Method That Scales Linearly up to Tens of Thousands of Cores
[Image: see text] We present a G(0)W(0) approach that is based on the evaluation of the linear response of the actions of the G(0) and W(0) operators. In this way we avoid sums over empty one-particle orbitals and do not have to explicitly develop the screened Coulomb interaction W(0) on a dedicated...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9169063/ https://www.ncbi.nlm.nih.gov/pubmed/35584057 http://dx.doi.org/10.1021/acs.jpca.2c01328 |