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Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations
[Image: see text] Over the last two decades, the local approximation has been successfully used to extend the range of applicability of the “gold standard” singles and doubles coupled-cluster method with perturbative triples CCSD(T) to systems with hundreds of atoms. The local approximation error gr...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8607505/ https://www.ncbi.nlm.nih.gov/pubmed/34730360 http://dx.doi.org/10.1021/acs.jpca.1c09106 |