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Cavity Born–Oppenheimer Approximation for Correlated Electron–Nuclear-Photon Systems

[Image: see text] In this work, we illustrate the recently introduced concept of the cavity Born–Oppenheimer approximation [Flick et al. PNAS2017, 10.1073/pnas.1615509114] for correlated electron–nuclear-photon problems in detail. We demonstrate how an expansion in terms of conditional electronic an...

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Détails bibliographiques
Publié dans:J Chem Theory Comput
Auteurs principaux: Flick, Johannes, Appel, Heiko, Ruggenthaler, Michael, Rubio, Angel
Format: Artigo
Langue:Inglês
Publié: American Chemical Society 2017
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC5390309/
https://ncbi.nlm.nih.gov/pubmed/28277664
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b01126
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