Physics

Charge (physics)

Conical surface

Polariton

Excited state

Atomic physics

Photoexcitation

Composite material

Coupled cluster

Materials science

Conical intersection

Condensed matter physics

Ab initio

Molecule

Quantum mechanics

Ground state

Quantum

Physical Review X

We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a non-perturbative description of cavity-induced effects in ground and excited states. Using this theory, we show how quantum fields can be used to manipulate charge transfer and photochemical properties of molecules. We propose a strategy to lift electronic degeneracies and induce modifications in the ground state potential energy surface close to a conical intersection.

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States