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 …
From a quantum-electrodynamical light–matter description to novel spectroscopies
Insights from spectroscopic experiments led to the development of quantum mechanics as
the common theoretical framework for describing the physical and chemical properties of …
the common theoretical framework for describing the physical and chemical properties of …
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
In this work, we provide an overview of how well-established concepts in the fields of
quantum chemistry and material sciences have to be adapted when the quantum nature of …
quantum chemistry and material sciences have to be adapted when the quantum nature of …
Strong light-matter coupling in quantum chemistry and quantum photonics
In this article, we review strong light-matter coupling at the interface of materials science,
quantum chemistry, and quantum photonics. The control of light and heat at thermodynamic …
quantum chemistry, and quantum photonics. The control of light and heat at thermodynamic …
Relevance of the quadratic diamagnetic and self-polarization terms in cavity quantum electrodynamics
Experiments at the interface of quantum optics and chemistry have revealed that strong
coupling between light and matter can substantially modify the chemical and physical …
coupling between light and matter can substantially modify the chemical and physical …
A perspective on sustainable computational chemistry software development and integration
The power of quantum chemistry to predict the ground and excited state properties of
complex chemical systems has driven the development of computational quantum chemistry …
complex chemical systems has driven the development of computational quantum chemistry …
Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy
Most theoretical studies for correlated light–matter systems are performed within the long-
wavelength limit, ie, the electromagnetic field is assumed to be spatially uniform. In this limit …
wavelength limit, ie, the electromagnetic field is assumed to be spatially uniform. In this limit …
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
By applying the Born-Huang expansion, originally developed for coupled nucleus-electron
systems, to the full nucleus-electron-photon Hamiltonian of nonrelativistic quantum …
systems, to the full nucleus-electron-photon Hamiltonian of nonrelativistic quantum …
Real-time time-dependent electronic structure theory
Real-time electronic structure methods provide an unprecedented view of electron dynamics
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …
Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory
In this work, we give a comprehensive derivation of an exact and numerically feasible
method to perform ab initio calculations of quantum particles interacting with a quantized …
method to perform ab initio calculations of quantum particles interacting with a quantized …