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Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core–Valence Correlation, and F12 Alternatives
[Image: see text] A hierarchy of wavefunction composite methods (cWFT), based on G4-type cWFT methods available for elements H through Rn, was recently reported by the present authors [J. Chem. Theor. Comput.2020, 16, 4238]. We extend this hierarchy by considering the inner-shell correlation energy...
| 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/PMC7735707/ https://www.ncbi.nlm.nih.gov/pubmed/33200931 http://dx.doi.org/10.1021/acs.jctc.0c01106 |