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Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction
[Image: see text] A thorough comparison is carried out for explicitly correlated and density-based basis-set correction approaches, which were primarily developed to mitigate the basis-set incompleteness error of wave function methods. An efficient implementation of the density-based scheme is also...
| 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/PMC10688194/ https://www.ncbi.nlm.nih.gov/pubmed/37950703 http://dx.doi.org/10.1021/acs.jctc.3c00979 |