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Hydrogen atom transfer (HAT) reactions are essential in many biological processes, such as radical migration in damaged proteins, but their mechanistic pathways remain incompletely understood. Simulating HAT is challenging due to the need…
We investigate an interplay between quantum geometrical effects and surface plasmons through surface plasmonic structures, based on an electron hydrodynamic theory. First we demonstrate that the quantum nonlinear Hall effect can be…
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…
We study the quantum dynamics of two quantum dots (QDs) or artificial atoms coupled through the fundamental localized plasmon of a gold nanorod resonator. We derive an intuitive and efficient time-local master equation, in which the effect…
The emerging field of plasmonics can lead to enhanced light matter interactions at extremely nanoscale regions. Plasmonic (metallic) devices promise to efficiently control both classical and quantum properties of light. Plasmonic waveguides…
We develop a quantitative mathematical theory that offers new perspectives on nonlinear harmonic generation in plasmonic structures arising from symmetry breaking. Focusing on second harmonic generation--the most fundamental process and the…
These notes, intended to be self contained and tutorial, present a direct, macroscopic approach to quantizing light inside a linear-response dielectric material when both spectral dispersion and spatial nonuniformity are present, but the…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…
Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQE) influence properties of these systems. In this work,…
High quality-factor (Q) resonant metasurfaces have attracted significant attention due to their potential applications in cutting-edge fields of optics. However, limited by intrinsic dissipation losses, achieving both an extremely high Q…
Mesoscopic models of the optical response of metals have emerged as fundamental building blocks in quantum plasmonics, in principle overcoming the computational bottlenecks of ab initio techniques by implementing aspects of the atomistic…
The effect of nonlocality on the optical response of metals lies at the forefront of research in nanoscale physics and, in particular, quantum plasmonics. In alkali metals, nonlocality manifests predominantly as electron density spill-out…
Despite being a fundamental tool in soft matter research, quartz crystal microbalance (QCM) analyses of discrete macromolecules in liquid so far lack a firm theoretical basis. Currently, acoustic signals are qualitatively interpreted using…
The quantum optics of metamaterials starts with the question whether the same effective-medium theories apply as in classical optics. In general the answer is negative. For active plasmonics but also for some passive metamaterials, we show…
We develop a microscopic quantum theory of surface plasmon polaritons valid for arbitrary metal-dielectric geometries. Our framework is based on the Power-Zienau-Woolley representation of quantum electrodynamics, which provides an optimal…
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…
Inspired by recent measurements on individual metallic nanospheres that can not be explained with traditional classical electrodynamics, we theoretically investigate the effects of nonlocal response by metallic nanospheres in three distinct…
For around 100 years, hydrogen spectral modelling has been based on Voigt profile fitting. The semi-classical Voigt profile is based on a 2-level atom approximation. Whilst the Voigt profile is excellent for many circumstances, the accuracy…
A systematic study of nonlocal and size effects on the energy transfer of a dipole (e.g. a molecule or a quantum dot) induced by the proximity of a metal slab is presented. Nonlocal effects are accounted for using the hydrodynamic model…
A causal, non-Hermitian, renormalizable, local, unitary and Lorentz convariant formulation of Quantum Theory (QT) (= Quantum Mechanics (QM) and Quantum Field Theory (QFT)) is developed which is free of formalistic problems we face in the…