The variational quantum eigensolver self-consistent field method within a polarizable embedded framework.

Kjellgren, Erik Rosendahl; Reinholdt, Peter; Fitzpatrick, Aaron; Talarico, Walter N; Jensen, Phillip W K; Sauer, Stephan P A; Coriani, Sonia; Knecht, Stefan; Kongsted, Jacob

Kjellgren, Erik Rosendahl; Reinholdt, Peter; Fitzpatrick, Aaron; Talarico, Walter N; Jensen, Phillip W K; Sauer, Stephan P A; Coriani, Sonia; Knecht, Stefan; Kongsted, Jacob.

Affiliation

Kjellgren ER; Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark.
Reinholdt P; Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark.
Fitzpatrick A; Algorithmiq Ltd., Kanavakatu 3C, FI-00160 Helsinki, Finland.
Talarico WN; Algorithmiq Ltd., Kanavakatu 3C, FI-00160 Helsinki, Finland.
Jensen PWK; Department of Applied Physics, QTF Centre of Excellence, Center for Quantum Engineering, Aalto University School of Science, FIN-00076 AALTO Espoo, Finland.
Sauer SPA; Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark.
Coriani S; Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark.
Knecht S; DTU Chemistry - Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.
Kongsted J; Algorithmiq Ltd., Kanavakatu 3C, FI-00160 Helsinki, Finland.

J Chem Phys ; 160(12)2024 Mar 28.

Article de En | MEDLINE | ID: mdl-38533884

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Langue: En Journal: J Chem Phys Année: 2024 Type de document: Article Pays d'affiliation: Danemark Pays de publication: États-Unis d'Amérique

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