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Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band-gap materials. This promise is contingent upon the…
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…
Closed analytical formulas are derived for the differential and total cross sections of the non-relativistic photoelectric effect in the three main classes of few-electron atomic systems: (1) neutral atoms and positively charged atomic ions…
Quantum optimal control theory is a powerful tool for engineering quantum systems subject to external fields such as the ones created by intense lasers. The formulation relies on a suitable definition for a target functional, that…
Cavity optomechanics represents a flexible platform for the implementation of quantum technologies, useful in particular for the realization of quantum interfaces, quantum sensors and quantum information processing. However, the dispersive,…
Cavity quantum electrodynamics (QED) generalizations of time-dependent (TD) density functional theory (DFT) and equation-of-motion (EOM) coupled-cluster (CC) theory are used to model small molecules strongly coupled to optical cavity modes.…
Cavity quantum electrodynamics (QED) studies the interaction between a quantum emitter and a single radiation-field mode. When an atom is in strong coupling with a cavity mode1,2, it is possible to realize key quantum information processing…
The future of quantum information processing hinges on chip-scale nanophotonics, specifically cavity QED and waveguide QED. One of the foremost processes underpinning quantum photonic technologies is the phenomenon of Rabi oscillations,…
We investigate the time an electronic excitation travels in a supermolecular setup using a measurement process in an open quantum-system framework. The approach is based on the stochastic Schr\"odinger equation and uses a Hamiltonian from…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applying GW as perturbation to the ground state of the fictitious,…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
Within the framework of exact quantum electrodynamics in dispersing and absorbing media, we have studied the quantum state of the radiation emitted from an initially in the upper state prepared two-level atom in a high-$Q$ cavity, including…
We investigate atom-photon entangling gates based on cavity quantum electrodynamics (QED) for a finite photon-pulse duration, where not only the photon loss but also the temporal mode-mismatch of the photon pulse becomes a severe source of…
Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of molecules and solids. The Kohn-Sham eigenvalues are not…
We put forward a dissipative preparation scheme for strongly correlated photon states. Our approach is based on a two-photon loss mechanism that is realised via a single four-level atom inside a bimodal optical cavity. Each elementary…
The dynamics of an initially excited two-level atom in a lossy cavity is studied by using the quantum trajectory method. Unwanted losses are included, such as photon absorption and scattering by the cavity mirrors and spontaneous emission…
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…
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…
A quantum dot coupled to an optical cavity has recently proven to be an excellent source of on-demand single photons. Typically, applications require simultaneous high efficiency of the source and quantum indistinguishability of the…