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Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics
[Image: see text] Spin-state energetics of transition metal complexes remain one of the most challenging targets for electronic structure methods. Among single-reference wave function approaches, local correlation approximations to coupled cluster theory, most notably the domain-based local pair nat...
| 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/PMC9202354/ https://www.ncbi.nlm.nih.gov/pubmed/35582788 http://dx.doi.org/10.1021/acs.jctc.2c00265 |