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Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations
[Image: see text] Our reduced-cost scheme [J. Chem. Phys.2018, 148, 094111] based on the frozen virtual natural orbital and natural auxiliary function approaches is extended to core excitations. The efficiency of the approximation is presented for the second-order algebraic-diagrammatic construction...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10210249/ https://www.ncbi.nlm.nih.gov/pubmed/37132379 http://dx.doi.org/10.1021/acs.jctc.3c00101 |