Related papers: Molecular orbital theory in cavity QED environment…
In most theoretical descriptions of collective strong coupling of organic molecules to a cavity mode, the molecules are modeled as simple two-level systems. This picture fails to describe the rich structure provided by their internal…
Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of…
We analytically tackle opto-vibronic interactions in molecular systems driven by either classical or quantum light fields. In particular, we examine a simple model of molecules with two relevant electronic levels, characterized by potential…
Many effects in the interaction between atoms and a cavity that are usually de-scribed in quantum mechanical terms (cavity quantum electrodynamics, cavity QED) can be understood and quantitatively analyzed within a classical framework. We…
In this work, we investigate the influence of light-matter coupling on reaction dynamics and equilibrium properties of a single molecule inside an optical cavity. The reactive molecule is modeled using a triple-well potential, allowing two…
Room temperature cavity quantum electrodynamics with molecular materials in optical cavities offers exciting prospects for controlling electronic, nuclear and photonic degrees of freedom for applications in physics, chemistry and materials…
Quantum correlations are interesting resources for modern quantum technologies such as quantum information processing, quantum communication, quantum teleportation, and quantum computation tasks. However, engineering these quantum states…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
Molecular orbital theory is powerful both as a conceptual tool for understanding chemical bonding, and as a theoretical framework for ab initio quantum chemistry. Despite its undoubted success, MO theory has well documented shortcomings,…
A major trend within the field of cavity QED is to boost the interaction strength between the cavity field and the atomic internal degrees of freedom of the trapped atom by decreasing the mode volume of the cavity. In such systems, it is…
The quantum dynamics of the coupling between a cavity optical field and a resonator microwave field via the electro-optic effect is studied. This coupling has the same form as the opto-mechanical coupling via radiation pressure, so all…
Cavity-mediated light-matter coupling can dramatically alter opto-electronic and physico-chemical properties of a molecule. Ab initio theoretical predictions of these systems need to combine non-perturbative, many-body electronic structure…
The emerging field of strongly coupled light-matter systems has drawn significant attention in recent years due to the prospect of altering physical and chemical properties of molecules and materials. Because this emerging field draws on…
A new protocol of the optical quantum memory based on the resonant interactions of the multi atomic system with a cavity light mode is proposed. The quantum memory is realized using a controllable inversion of the inhomogeneous broadening…
In this work, we present ab initio cavity QED methods which include interactions with a static magnetic field and nuclear spin degrees of freedom using different treatments of the quantum electromagnetic field. We derive explicit…
Understanding the interaction between cavity photons and electronic nanocircuits is crucial for the development of Mesoscopic Quantum Electrodynamics (QED). One has to combine ingredients from atomic Cavity QED, like orbital degrees of…
We develop quantum-optical input-output theory for resonators with arbitrary coupling strength, and for input fields whose spectrum can be wider than the cavity free-spectral range, while ensuring that the field-operator commutator…
We develop a quantum optical formalism to treat a two-dimensional array of atoms placed in an optical cavity. Importantly, and in contrast to typical treatments, we account for cooperative dipole-dipole effects mediated by the interaction…
A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely…
A theoretical framework is presented for the computation of rovibrational polaritonic states of a molecule in a lossless infrared (IR) microcavity. In the proposed approach the quantum treatment of the rotational and vibrational motion of…