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When Gold Is Not Enough: Platinum Standard of Quantum Chemistry with N(7) Cost
[Image: see text] In this paper, we extend the rank-reduced coupled-cluster formalism to the calculation of non-iterative energy corrections due to quadruple excitations. There are two major components of the proposed formalism. The first is an approximate compression of the quadruple excitation amp...
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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/PMC9648181/ https://www.ncbi.nlm.nih.gov/pubmed/36314739 http://dx.doi.org/10.1021/acs.jctc.2c00460 |