Polaritonic coupled-cluster theory
Uliana Mordovina, Callum Bungey, Heiko Appel, Peter J. Knowles, Angel Rubio, Frederick R. Manby
Abstract
The authors develop a coupled-cluster theory for systems of electrons strongly coupled to photons, in order to provide an ab initio theoretical method for polaritonic chemistry. The paper shows benchmark results for ground and excited state properties of a model molecule in high-Q optical cavities.
Topics & Concepts
Excited stateGround statePhysicsAb initioQuantum mechanicsStatistical physicsState (computer science)ElectronTheoretical physicsBenchmark (surveying)Ab initio quantum chemistry methodsWork (physics)Atomic physicsCondensed matter physicsOrder (exchange)Strong Light-Matter InteractionsQuantum Electrodynamics and Casimir EffectMechanical and Optical Resonators