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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Bibliographic Details
Main Authors: Uliana Mordovina, Callum Bungey, Heiko Appel, Peter J. Knowles, Angel Rubio, Frederick R. Manby
Format: Article
Language:English
Published: American Physical Society 2020-06-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.2.023262