Related papers: Comprehensive scheme for identifying defects in so…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
In a preceding paper we introduced a formalism to study the scattering of low intensity fields from a system of multi-level emitters embedded in a $3$D dielectric medium. Here we show how this photon-scattering relation can be used to…
Deterministic emitters transform electronic excitations to photons with unity efficiency. Their development is crucial for both energy-efficient optical interconnects and photonic quantum technologies, but neither rigorous theoretical…
Coherent quantum optics, where the interaction of a photon with an emitter does not scramble phase coherence, lies at the heart of many quantum optical effects and emerging technologies. Solid-state emitters coupled to nanophotonic…
Orbital-free Density Functional Theory (OF-DFT) has been used when studying atoms, molecules and solids. In nuclear physics, there has been basically no application of OF-DFT so far, as the Density Functional Theory (DFT) has been widely…
Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…
The advent in this century of nano and microelectronics requires, by part of physicists and engineers, the need of an explanation of electrical phenomena such as the interaction of a body with external electric fields at its atomic…
Defects with associated electron and nuclear spins in solid-state materials have a long history relevant to quantum information science going back to the first spin echo experiments with silicon dopants in the 1950s. Since the turn of the…
The proliferation of wireless devices necessitates more robust and reliable emitter detection and identification for critical tasks such as spectrum management and network security. Existing studies exploring methods for unknown emitters…
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…
We develop a wavefunction approach to describe the scattering of two photons on a quantum emitter embedded in a one-dimensional waveguide. Our method allows us to calculate the exact dynamics of the complete system at all times, as well as…
Covariant density functional theory (CDFT) is a modern theoretical tool for the description of nuclear structure phenomena. The current investigation aims at the global assessment of the accuracy of the description of the ground state…
The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both perfect and containing nitrogen or uranium vacancies) with…
Increasing the collection efficiency from solid-state emitters is an important step towards achieving robust single photon sources, as well as optically connecting different nodes of quantum hardware. A metallic substrate may be the most…
We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated, defect states. We consider iron in aluminum nitride, a material of interest for…
Steady-state density functional theory, called i-DFT, is employed to compute spectral and transmission properties of general interacting nanoscale regions coupled to electronic reservoirs. Exchange-correlation functionals are constructed…
Scalable spin-to-photon interfaces require quantum emitters with strong optical transition dipole moment and low coupling to phonons and stray electric fields. It is known that particularly for coupling to stray electric fields, these…
Optically and magnetically active point defects in semiconductors are interesting platforms for the development of solid-state quantum technologies. Their optical properties are usually probed by measuring photoluminescence spectra, which…
Nuclear Density Functional Theory (DFT) plays a prominent role in the understanding of nuclear structure, being the approach with the widest range of applications. Hohenberg and Kohn theorems warrant the existence of a nuclear Energy…
Single photon emitters in two-dimensional (2D) hexagonal boron nitride (hBN) are promising solid-state quantum emitters for photonic applications and quantum networks. Despite their favorable properties, much is still unknown about their…