Related papers: Different perspectives on the exact factorization …
The quantum dynamics of electron-nuclear systems is analyzed from the perspective of the exact factorization of the wavefunction, with the aim of defining gauge invariant equations of motion for both the nuclei and the electrons. For pure…
Engineering strong interactions between optical photons is a great challenge for quantum science. Envisioned applications range from the realization of photonic gates for quantum information processing to synthesis of photonic quantum…
The precise determination of the excitation energies in condensed-phase molecular systems is important for understanding system-environment interactions as well as for the prerequisite input data of theoretical models used to study the…
We investigate the exact wavefunction as a single product of electronic and nuclear wavefunction for a model conical intersection system. Exact factorized spiky potentials and nodeless nuclear wavefunctions are found. The exact factorized…
Molecular polaritons have become an emerging platform for remotely controlling molecular properties through strong light-matter interactions. Herein, a semiclassical approach is developed for describing molecular polaritons by…
It was recently shown [Phys. Rev. Lett. 105, 123002 (2010)] that the complete wavefunction for a system of electrons and nuclei evolving in a time-dependent external potential can be exactly factorized into an electronic wavefunction and a…
When the interaction between a molecular system and confined light modes in an optical or plasmonic cavity is strong enough to overcome the dissipative process, hybrid light-matter states (polaritons) emerge as the fundamental excitations…
In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules.While the effects of electronic polarization are highly…
The polariton, a quasiparticle formed by strong coupling of a photon to a matter excitation, is a fundamental ingredient of emergent photonic quantum systems ranging from semiconductor nanophotonics to circuit quantum electrodynamics.…
Molecular polaritons are hybrid light-matter states that enable the exploration of potential cavity-modified chemistry. The development of dynamical, first-principles approaches for simulating molecular polaritons is important for…
Strong light-matter coupling between molecules and plasmonic nanoparticles give rise to new hybrid eigenstates of the coupled system, commonly referred to as polaritons, or more precisely, plexcitons. Over the last decade it has been amply…
Strong light-matter coupling gives rise to polaritons - hybrid excitations whose mixed photonic and matter character enables control over optical, electronic and chemical properties. This Feature Article surveys the main architectures…
The hybridization of light and matter excitations in the form of polaritons has enabled major advances in understanding and controlling optical nonlinearities. Entering the quantum regime of strong interactions between individual photons…
Exciton-polaritons are hybrid elementary excitations of light and matter that, thanks to their nonlinear properties, enable a plethora of physical phenomena ranging from room temperature condensation to superfluidity. While polaritons are…
Rydberg atoms represent a platform underpinning many recent developments in quantum computation, simulation, sensing, and metrology. They further facilitate optical nonlinearity at the single-photon level when coupled to photons propagating…
Fromager and Lasorne [Electron. Struct. 6 025002 (2024)] have recently derived an in-principle exact Kohn-Sham density functional theory (KS-DFT) of electrons and nuclei, where the nuclear density and the (so-called conditional) electronic…
We investigate the influence of exciton-phonon coupling on the dynamics of a strongly coupled quantum dot-photonic crystal cavity system and explore the effects of this interaction on different schemes for non-classical light generation. By…
The inclusion of electronic polarization is of crucial importance in molecular simulations of systems containing charged moieties. When neglected, as often done in force field simulations, charge-charge interactions in solution may become…
We show how to simulate a model of many molecules with both strong coupling to many vibrational modes and collective coupling to a single photon mode. We do this by combining process tensor matrix product operator methods with a mean-field…
A model designed to mimic the implications of the collective optical response of molecular ensembles in optical cavities on molecular vibronic dynamics is investigated. Strong molecule-radiation field coupling is often reached when a large…