Related papers: Polaritonic Coupled-Cluster Theory
This is a tutorial-style introduction to the field of molecular polaritons. We describe the basic physical principles and consequences of strong light-matter coupling common to molecular ensembles embedded in UV-visible or infrared…
The rapidly developing and converging fields of polaritonic chemistry and quantum optics necessitate a unified approach to predict strongly-correlated light-matter interactions with atomic-scale resolution. Combining concepts from both…
Polaritonic chemistry has become a rapidly developing field within the last few years. A multitude of experimental observations suggest that chemical properties can be fundamentally altered and novel physical states appear when matter is…
We investigate the many-body behavior of polaritons formed from electron-hole pairs strongly coupled to photons in a two-dimensional semiconductor microcavity. We use a microscopic mean-field BCS theory that describes polariton condensation…
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…
The experimental observation of quantum phenomena in strongly correlated many particle systems is difficult because of the short length- and timescales involved. Obtaining at the same time detailed control of individual constituents appears…
In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…
We employ the exact factorization of a multi-component wavefunction to analyze the dynamics of interacting photons, electrons and nuclei. We consider physical situations emerging in the regime of strong coupling between light excitations…
Molecular polaritons are hybrid states of photonic and molecular character that form when molecules strongly interact with light. Strong coupling tunes energy levels and importantly, can modify molecular properties (e.g. photoreaction…
Plasmon-exciton polaritons provide exciting possibilities to control light-matter interactions at the nanoscale by enabling closer investigation of quantum optical effects and facilitating novel technologies based, for instance, on…
We present a new methodology to calculate the strong light-matter coupling between photonic modes in microcavities and large molecular aggregates that consist of hundreds of molecular fragments. To this end, we combine our fragment…
We present a theoretical description of the coupling between longitudinal optical phonons and collective excitations of a two-dimensional electron gas. By diagonalizing the Hamiltonian of the system, including Coulomb electron-electron and…
Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes in optical cavities. Despite…
Perturbative approaches are methods to efficiently tackle many-body problems, offering both intuitive insights and analysis of correlation effects. However, their application to systems where light and matter are strongly coupled is…
Chemical and photochemical reactivity, as well as supramolecular organization and several other molecular properties, can be modified by strong interactions between light and matter. Theoretical studies of these phenomena require the…
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. M\o{}ller-Plesset (MP-$n$, with…
We present a quantum theory for a fully coupled hybrid optomechanical system where all mutual couplings between a two-level atom, a confined photon mode and a mechanical oscillator mode are considered. In such a configuration, new quantum…
We provide a simple method that enables readily acquired experimental data to be used to predict whether or not a candidate molecular material may exhibit strong coupling. Specifically, we explore the relationship between the hybrid…
In this work we present a set of virial relations for many electron systems coupled to field modes, described by the Pauli--Fierz Hamiltonian in dipole approximation and using length gauge. Currently, there is growing interest in solutions…
We present a new ab initio approach to study molecules containing heavy atoms strongly interacting with quantum fields in optical devices. The theory has been derived from the relativistic quantum electrodynamics (QED) introducing the…