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Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure

A prominent goal in quantum chemistry is to solve the molecular electronic structure problem for ground state energy with high accuracy. While classical quantum chemistry is a relatively mature field, the accurate and scalable prediction of strongly correlated states found, e.g., in bond breaking an...

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Detalles Bibliográficos
Autores principales: Motta, Mario, Sung, Kevin J., Whaley, K. Birgitta, Head-Gordon, Martin, Shee, James
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10583744/
https://www.ncbi.nlm.nih.gov/pubmed/37860666
http://dx.doi.org/10.1039/d3sc02516k