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Polaritonic coupled-cluster theory

We develop coupled-cluster theory for systems of electrons strongly coupled to photons, providing a promising theoretical tool in polaritonic chemistry with a perspective of application to all types of fermion-boson coupled systems. We show benchmark results for model molecular Hamiltonians coupled...

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Autori principali: Uliana Mordovina, Callum Bungey, Heiko Appel, Peter J. Knowles, Angel Rubio, Frederick R. Manby
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Physical Society 2020-06-01
Serie:Physical Review Research
Accesso online:http://doi.org/10.1103/PhysRevResearch.2.023262
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