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Optimization of the r(2)SCAN-3c Composite Electronic-Structure Method for Use with Slater-Type Orbital Basis Sets
[Image: see text] The “Swiss army knife” composite density functional electronic-structure method r(2)SCAN-3c (J. Chem. Phys.2021, 154, 064103) is extended and optimized for the use with Slater-type orbital basis sets. The meta generalized-gradient approximation (meta-GGA) functional r(2)SCAN by Fur...
| Autores principales: | , , , |
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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/PMC9255700/ https://www.ncbi.nlm.nih.gov/pubmed/35654439 http://dx.doi.org/10.1021/acs.jpca.2c02951 |