Related papers: Cavity-modulated ionization potentials and electro…
Analytical gradients of potential energy surfaces play a central role in quantum chemistry, allowing for molecular geometry optimizations and molecular dynamics simulations. In strong coupling conditions, potential energy surfaces can…
Understanding physical properties of quantum emitters strongly interacting with quantized electromagnetic modes is one of the primary goals in the emergent field of waveguide quantum electrodynamics (QED). When the light-matter coupling…
We scrutinize the performance of different variants of equation of motion coupled cluster (EOM-CC) methods to predict electronic excitation energies and excited state potential energy surfaces in closed-shell actinide species. We focus our…
We study the collective optical response of an atomic ensemble confined within a single-mode optical cavity by stochastic electrodynamics simulations that include the effects of atomic position correlations, internal level structure, and…
The ground X1{\Sigma}+ state potential energy curve (PEC) and dipole moment curve (DMC) of CO molecule have been revisited within the framework of the relativistic coupled-cluster approach, which incorporates non-perturbative single,…
Here, a comprehensive theory of the couplings between a nanocavity and exciton complexes in a quantum dot is developed, which successfully predicts the spectral triplet in the strong coupling regime that has been observed in several…
A systematic QED treatment of electron correlation is presented for ions along the lithium isoelectronic sequence. We start with the zeroth-order approximation that accounts for a part of the electron-electron interaction by a local model…
Cavity quantum electrodynamics offers the possibility to observe and control the motion of few or individual atoms, enabling the realization of various quantum technological tasks such as quantum-enhanced metrology or quantum simulation of…
We derive a coupled mode theory for the interaction of an optical cavity with a waveguide that includes waveguide dispersion. The theory can be applied to photonic crystal cavity waveguide structures. We derive an analytical solution to the…
The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as well as bound and temporary radical anions. We embed…
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 light becomes important in correlated matter-photon problems.…
Electrodynamical coupled cluster (CC) methodologies have been formulated employing standard QED Hamiltonian that is written in Coulomb gauge while using the DF and the MCDF pictures of the matter field for closed-shell and open-shell cases…
We investigate theoretically the model of a cavity-quantum-electrodynamics (QED) system that consists of two two-level atoms coupled to a single-mode cavity in the weak coupling regime, where the system is driven by quantum light. The…
We discuss the simulation of non-perturbative cavity-QED effects using systems of trapped ions. Specifically, we address the implementation of extended Dicke models with both collective dipole-field and direct dipole-dipole interactions,…
Proton transfer is ubiquitous in many fundamental chemical and biological processes, and the ability to modulate and control the proton transfer rate would have a major impact on numerous quantum technological advances. One possibility to…
We consider a one-dimensional effective quantum electrodynamics (QED) model of the relativistic hydrogen-like atom using delta-potential interactions. We discuss the general exact theory and the Hartree-Fock approximation. The present…
Strong coupling between an atom and an electromagnetic resonator is an important condition in cavity quantum electrodynamics (QED). While strong coupling in various physical systems has been achieved so far, it remained elusive for single…
Cavity electrodynamics offers a unique avenue for tailoring ground-state material properties, excited-state engineering, and versatile control of quantum matter. Merging these concepts with high-field physics in the terahertz (THz) spectral…
The independent atom and electron model [1] is introduced in a quantum context and associated approximations tentatively estimated. Confrontation of the model to measured ionization and excitation cross sections of small ionic carbon…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…