Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory

Strong electron correlation plays an important role in transition-metal and heavy-metal chemistry, magnetic molecules, bond breaking, biradicals, excited states, and many functional materials, but it provides a significant challenge for modern electronic structure theory. The treatment of strongly c...

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Detalles Bibliográficos
Autores principales: Zhou, Chen, Hermes, Matthew R., Wu, Dihua, Bao, Jie J., Pandharkar, Riddhish, King, Daniel S., Zhang, Dayou, Scott, Thais R., Lykhin, Aleksandr O., Gagliardi, Laura, Truhlar, Donald G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9261488/
https://www.ncbi.nlm.nih.gov/pubmed/35865899
http://dx.doi.org/10.1039/d2sc01022d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9261488/
https://www.ncbi.nlm.nih.gov/pubmed/35865899
http://dx.doi.org/10.1039/d2sc01022d

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