Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …
polaritons, are formed due to quantum light–matter interactions. With the experimental …
Understanding polaritonic chemistry from ab initio quantum electrodynamics
In this review, we present the theoretical foundations and first-principles frameworks to
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …
[HTML][HTML] A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
This Perspective provides a brief introduction into the theoretical complexity of polaritonic
chemistry, which emerges from the hybrid nature of strongly coupled light–matter states. To …
chemistry, which emerges from the hybrid nature of strongly coupled light–matter states. To …
Molecular orbital theory in cavity QED environments
Coupling between molecules and vacuum photon fields inside an optical cavity has proven
to be an effective way to engineer molecular properties, in particular reactivity. To ease the …
to be an effective way to engineer molecular properties, in particular reactivity. To ease the …
Ab initio methods for polariton chemistry
Polariton chemistry exploits the strong interaction between quantized excitations in
molecules and quantized photon states in optical cavities to affect chemical reactivity …
molecules and quantized photon states in optical cavities to affect chemical reactivity …
[HTML][HTML] Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment
The electron attachment variant of equation-of-motion coupled-cluster theory (EOM-EA-CC)
is generalized to the case of strong light–matter coupling within the framework of cavity …
is generalized to the case of strong light–matter coupling within the framework of cavity …
Quantum Floquet engineering with an exactly solvable tight-binding chain in a cavity
Recent experimental advances enable the manipulation of quantum matter by exploiting the
quantum nature of light. However, paradigmatic exactly solvable models, such as the Dicke …
quantum nature of light. However, paradigmatic exactly solvable models, such as the Dicke …
Free electron gas in cavity quantum electrodynamics
Cavity modification of material properties and phenomena is a novel research field largely
motivated by the advances in strong light-matter interactions. Despite this progress, exact …
motivated by the advances in strong light-matter interactions. Despite this progress, exact …
Theory for Cavity-Modified Ground-State Reactivities via Electron–Photon Interactions
We provide a simple and intuitive theory to explain how coupling a molecule to an optical
cavity can modify ground-state chemical reactivity by exploiting intrinsic quantum behaviors …
cavity can modify ground-state chemical reactivity by exploiting intrinsic quantum behaviors …
Relativistic linear response in quantum-electrodynamical density functional theory
We present the theoretical derivation and numerical implementation of the linear response
equations for relativistic quantum electrodynamical density functional theory (QEDFT). In …
equations for relativistic quantum electrodynamical density functional theory (QEDFT). In …