Related papers: Unified ab initio quantum-electrodynamical density…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are…
Cavity quantum electrodynamics (QED), wherein a quantum emitter is coupled to electromagnetic cavity modes, is a powerful platform for implementing quantum sensors, memories, and networks. However, due to the fundamental tradeoff between…
We present a medium-dependent quantum optics approach to describe the influence of electron-acoustic phonon coupling on the emission spectra of a strongly coupled quantum-dot cavity system. Using a canonical Hamiltonian for light…
The emergent field of cavity quantum materials bridges collective many-body phenomena in solid-state platforms with strong light-matter coupling in cavity quantum electrodynamics (cavity QED). This brief review provides an overview of the…
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 propose a model based on density functional theory (DFT) and quantum electrodynamics (QED) to study the dynamical characteristics of graphene quantum dots (GQDs). We assume the GQD edges are saturated with hydrogen atoms, effectively…
Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…
We introduce Scale Factorized-Quantum Field Theory (SF-QFT), a framework performing path-integral factorization of ultraviolet and infrared momentum modes at a physical scale $Q^*$ before perturbative expansion through Effective Dynamical…
Plasmonic nanocavities are a promising platform for strong light-matter coupling and enhanced spectroscopies at the single-molecule level. These nanoscale environments are challenging to model due to their strongly multimodal character and…
Ensemble Density Functional Theory (EDFT) is a promising extension to Density Functional Theory (DFT) for calculating excited states. While Kohn-Sham eigenvalue differences underestimate gaps, EDFT has been shown to provide more accurate…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
Since the photon box gedanken experiments of several of the founding fathers of modern physics, considerable progress has been made in differentiating the quantum and classical worlds. In this pursuit, the cavity as an open quantum system…
Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…
Cavity quantum electrodynamics (cQED) harnesses light-matter interactions to produce nonclassical light states. However, a fundamental challenge lies in simultaneously achieving Purcell enhancement and tailored wavefront control within a…
The strong-coupling regime of cavity-quantum-electrodynamics (cQED) represents light-matter interaction at the fully quantum level. Adding a single photon shifts the resonance frequencies, a profound nonlinearity. cQED is a test-bed of…
We investigate the influence of the electron-phonon interaction on the decay dynamics of a quantum dot coupled to an optical microcavity. We show that the electron-phonon interaction has important consequences on the dynamics, especially…
Cavity quantum electrodynamics (QED) manipulates the coupling of light with matter, and allows for several emitters to couple coherently with one light mode. However, even in a many-body system, the light-matter coupling mechanism was so…
Cavity quantum electrodynamics has attracted substantial interest, both due to its potential role in the field of quantum information processing and as a testbed for basic experiments in quantum mechanics. Here, we show how cavity quantum…
Quantum-mechanical simulations can offer atomic-level insights into chemical processes on surfaces. This understanding is crucial for the rational design of new solid catalysts as well as materials to store energy and mitigate greenhouse…