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Linear-Scaling Systematic Molecular Fragmentation Approach for Perturbation Theory and Coupled-Cluster Methods
[Image: see text] The coupled-cluster (CC) singles and doubles with perturbative triples [CCSD(T)] method is frequently referred to as the “gold standard” of modern computational chemistry. However, the high computational cost of CCSD(T) [O(N(7))], where N is the number of basis functions, limits it...
| 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/PMC9476663/ https://www.ncbi.nlm.nih.gov/pubmed/35972734 http://dx.doi.org/10.1021/acs.jctc.2c00587 |