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New and Efficient Implementation of CC3
[Image: see text] We present a new and efficient implementation of the closed shell coupled cluster singles and doubles with perturbative triples method (CC3) in the electronic structure program e(T). Asymptotically, a ground state calculation has an iterative cost of 4n(V)(4)n(O)(3) floating point...
| 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/PMC8016187/ https://www.ncbi.nlm.nih.gov/pubmed/33263255 http://dx.doi.org/10.1021/acs.jctc.0c00686 |