相关论文: FMO-LC-TDDFTB method for excited states of large m…
Herein, we present a new method to efficiently calculate electronically excited states in large molecular assemblies, consisting of hundreds of molecules. For this purpose, we combine the long-range corrected tight-binding…
Strong light-matter coupling provides a versatile and novel means to manipulate chemical processes. Here we develop a theoretical framework to investigate the spectroscopy and dynamics of a molecular ensemble embedded in an optical cavity…
Polaritonic chemistry investigates the possible modification of chemical and photochemical reactions by means of strong light-matter coupling in optical cavities, as demonstrated in numerous experiments over the last few years. These…
Confined electromagnetic modes strongly couple to collective excitations in ensembles of quantum emitters, producing light-matter hybrid states known as polaritons. Under such conditions, the discrete multilevel spectrum of molecular…
Experiments show that light-matter strong coupling affects chemical properties, though the underlying mechanism remains unclear. We present an ab initio quantum electrodynamics coupled cluster method for the collective strong coupling…
A systematic method for determining correlated wavefunctions of extended systems in the ground and excited states is presented. It allows to fully exploit the power of quantum-chemical programs designed for correlation calculations of…
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…
We introduce a novel methodology for simulating the excited-state dynamics of extensive molecular aggregates in the framework of the long-range corrected time-dependent density-functional tight-binding fragment molecular orbital method…
The enormous progress in controlling quantum optical and atomic systems has prompted ideas for new experimental realizations of strongly correlated many-body systems operating with light. These systems consist of photons confined in optical…
The main technological obstacle hampering the dissemination of modern optoelectronic devices operating with large light-matter coupling strength ${\Omega}$ is an in-depth comprehension of the carrier current extraction and injection from…
We study a doped transition metal dichalcogenide (TMDC) monolayer in an optical microcavity. Using the microscopic theory, we simulate spectra of quasiparticles emerging due to the interaction of material excitations and a high-finesse…
The use of quantum light to probe exciton properties in semiconductor and molecular nanostructures typically occurs in the low-intensity regime. A substantial enhancement of exciton-photon coupling can be achieved with photonic cavities,…
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…
In this work, we combine the density functional tight-binding (DFTB) approach with a light-matter Hamiltonian beyond the long-wavelength approximation to propagate the dynamics of vibrational polaritons formed by coupling molecular…
Strong light-matter coupling is a quantum process in which light and matter are coupled together, generating hybridized states. This is similar to the notion of molecular hybridization, but one of the components is light. Here, we utilized…
Integrated photonics has been a promising platform for analog quantum simulation of condensed matter phenomena in strongly correlated systems. To that end, we explore the implementation of all-photonic quantum simulators in coupled cavity…
We investigate theoretically the influence of strong light-matter coupling on the initial steps of the photo-triggered singlet-fission process. In particular we focus on intra-molecular singlet fission in a TIPS-pentacene dimer derivative…
Strong light-matter coupling in optical waveguides provides a versatile platform for engineering hybrid polaritonic modes and their dispersion. Here we investigate multimode exciton-photon coupling in visible semiconductor waveguides…
Organic microcavities can be engineered to reach exotic quantum regimes of strong and ultrastrong light-matter coupling. However, the microscopic interpretation of their spectroscopic signals can be challenging due to the competition…
The two-dimensional transition-metal dichalcogenides (2D TMDCs) are an intriguing platform for studying light-matter interactions because they combine the electronic properties of conventional semiconductors with the optical resonances…