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In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
A novel fully atomistic multiscale classical approach to model the optical response of solvated real-size plasmonic nanoparticles (NPs) is presented. The model is based on the coupling of the Frequency Dependent Fluctuating Charges and…
The plasmon response of metallic nanostructures is anticipated to exhibit nonlocal dynamics of the electron gas when exploring the true nanoscale. We extend the local-response approximation (based on Ohm's law) to account for a general…
Quantum plasmonics of few electrons that was reported a few years ago in photodoping experiments has received little or no attention in doped nanomaterials both theoretically and experimentally. There are no studies of quantum plasmonics of…
The optical properties of molecules close to plasmonic nanostructures greatly differ from their isolated molecule counterparts. To theoretically investigate such systems in a Quantum Chemistry perspective, one has to take into account that…
We present an application of our new theoretical formulation of quantum dynamics, moment propagation theory (MPT) (Boyer et al., J. Chem. Phys. 160, 064113 (2024)), for employing machine-learning techniques to simulate the quantum dynamics…
Confining light to scales beyond the diffraction limit, quantum plasmonics supplies an ideal platform to explore strong light-matter couplings. The light-induced localized surface plasmons (LSPs) on the metal-dielectric interface acting as…
A generalized Hydrodynamics, referred to as Mesoscopic Hydro-Thermodynamics, of phonons in semiconductors is presented. It involves the descriptions of the motion of the quasi-particle density and of the energy density. The hydrodynamic…
Recently, we have theoretically proposed and experimentally demonstrated an exact and efficient quantum simulation of photosynthetic light harvesting in nuclear magnetic resonance (NMR), cf. B. X. Wang, \textit{et al.} npj Quantum…
We present the theoretical derivation and numerical implementation of the linear response equations for relativistic quantum electrodynamical density functional theory (QEDFT). In contrast to previous works based on the Pauli-Fierz…
A crucial role in the theory of uncertainty quantification (UQ) of PDEs is played by the regularity of the solution with respect to the stochastic parameters; indeed, a key property one seeks to establish is that the solution is holomorphic…
Similar to radiation pressure, photothermal effects connect the optical path length to an intracavity field, resulting in nonlinear behavior of the resonator due to thermal effects. Here, we theoretically investigate the nonlinear optics…
Development of the electronic kinetic-energy density functional is a subject of major interest in theoretical physics and chemistry. In this work, the nonlocal kinetic-energy functional is developed in terms of the response function for the…
Recent advances in nanofabrication technology now enable unprecedented control over 2D heterostructures, in which single- or few-atom thick materials with synergetic opto-electronic properties can be combined to develop next-generation…
Metallic nanoparticles (NPs) support localized surface plasmon resonances (LSPRs), which enable to concentrate sunlight at the active layer of solar cells. However, full-wave modeling of the plasmonic solar cells faces great challenges in…
Self-assembled Plasmonic Nanoparticle Networks (PNN) composed of chains of 12-nm diameter crystalline gold nanoparticles exhibit a longitudinally coupled plasmon mode cen- tered at 700 nm. We have exploited this longitudinal absorption band…
Astrophysical models studying the origin of the p-nuclei require knowledge of the reaction rates of photodisintegrations and capture reactions. Since experimental data at astrophysically relevant energies are limited, reaction rate…
The interpretation of nanoplasmonic effects on molecular properties, such as metal-enhanced absorption or fluorescence, typically assumes a fully coherent picture (in the quantum-mechanical sense) of the phenomena. Yet, there may be…
We study plasmonic excitations in the limit of few electrons, in one-atom thick sodium chains, and characterize them based on collectivity. We also compare the excitations to classical localised plasmon modes and find for the longitudinal…
We study the thermal dilepton and photon production from relativistic heavy ion collisions in presence of viscosities by employing the recently developed second order dissipative hydrodynamic formulation estimated within a quasiparticle…