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Quantum-chemical processes in liquid environments impact broad areas of science, from molecular biology to geology to electrochemistry. While density-functional theory (DFT) has enabled efficient quantum-mechanical calculations which…
The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles. Compared to the widely adopted linear-response TDDFT…
Dispersion properties of metals and propagation of quantum bulk plasmon in the high photon energy regime are studied. The nonlocal dielectric permittivity of a metal is determined by the quantum plasma effects and is calculated by applying…
Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…
Lead-free Cs$_3$Cu$_2$X$_5$ (X = Cl, Br, I) halides exhibit high photoluminescence quantum yields and excellent ambient stability, yet light-emitting devices based on these materials remain limited by poor optical outcoupling. In this work,…
In a previous work we developed a family of orbital-free tensor equations for DFT [J. Chem. Phys. 124, 024105 (2006)]. The theory is a combination of the coupled hydrodynamic moment equations hierarchy with a cumulant truncation of 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…
The distance-dependent interaction of an emitter with a plasmonic nanoparticle or surface forms the basis of the field of plexitonics. Semiconductor quantum dots (QDs) are robust emitters due to their photostability, and offer the…
Density functional theory (DFT) is an efficient instrument for describing a wide range of nanoscale phenomena: wetting transition, capillary condensation, adsorption, etc. In this paper, we suggest a method for obtaining the equilibrium…
In this work we introduce an effective approach to quantize the electromagnetic response of plasmonic metallic nanostructures. Their shape is arbitrary and they feature a realistic description of the frequency-dependent metal dielectric…
In this Letter, we introduce a representation of the electromagnetic field for the analysis and synthesis of the full-wave scattering by a homogeneous dielectric object of arbitrary shape in terms of a set of eigenmodes independent of its…
Quantum-statistical effects occur during the propagation of electromagnetic (EM) waves inside the dielectric media or metamaterials, which include a large class of nanophotonic and plasmonic waveguides with dissipation and noise. Exploiting…
A novel idea, Quantum Thermodynamic Transformation Optics (QTTO), is introduced in this article. This theoretical framework integrates the geometric formalism of transformation optics with the thermodynamic principles found in quantum…
The optical response of a coupled nanowire dimer is studied using a fully quantum mechanical approach. The translational invariance of the system allows to apply the time--dependent density functional theory for the plasmonic dimer with the…
The detailed understanding of the physical parameters that determine Localized Surface Plasmon Resonances (LSPRs) is essential to develop new applications for plasmonics. A relatively new area of research has been opened by the…
The recent generalised nonlocal optical response (GNOR) theory for plasmonics is analysed, and its main input parameter, namely the complex hydrodynamic convection-diffusion constant, is quantified in terms of enhanced Landau damping due to…
Plasma state of matter can be studied in various types of situations. These studies are of great interest in Astrophysical objects like galaxies, accretion disk, neutron stars, etc, and laboratory plasma as well. Different objects demand…
Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…
Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…
In this paper we explicate a method of magneto quantum hydrodynamics (MQHD) for the study of the quantum evolution of a system of spinning fermions in an external electromagnetic field. The fundamental equations of microscopic quantum…