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...

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Detalles Bibliográficos
Autores principales: Drosou, Maria, Mitsopoulou, Christiana A., Pantazis, Dimitrios A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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