Related papers: Parameter-free quantum hydrodynamic theory for pla…
We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…
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…
Second-order nonlinear optical processes do not manifest in the bulk of centrosymmetric materials, but may occur in the angstroms-thick layer at surfaces. At such length-scales, quantum mechanical effects come into play which could be…
We calculate the self-energy of one-dimensional electron band with the three-dimensional long range Coulomb interaction within the random phase approximation, paying particular attention to the contribution coming from the electron…
Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation…
We introduce a quantization scheme that can be applied to surface waves propagating along a plane interface. An important result is the derivation of the energy of the surface wave for dispersive non-lossy media without invoking any…
Quantum embedding approaches involve the self-consistent optimization of a local fragment of a strongly correlated system, entangled with the wider environment. The `energy-weighted' density matrix embedding theory (EwDMET) was established…
Plasmons are likely to play an important role in integrated photonic ciruits, because they strongly interact with light and can be confined to subwavelength scales. These plasmons can be guided and controlled by plasmonic waveguides, which…
A method for the calculation of the damping rate due to electron-hole pair excitation for atomic and molecular motion at metal surfaces is presented. The theoretical basis is provided by Time Dependent Density Functional Theory (TDDFT) in…
We derive a large-scale hydrodynamic equation, including diffusive and dissipative effects, for systems with generic static position-dependent driving forces coupling to local conserved quantities. We show that this equation predicts…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions…
We examine the limits of applicability of a simple non-Hermitian model for exciton/plasmon interactions in the presence of dissipation and dephasing. The model can be used as an alternative to the more complete Lindblad density matrix…
Theoretical description of oscillations of electron liquid in large metallic nanospheres (with radius of few tens nm) is formulated within random-phase-approximation semiclassical scheme. Spectrum of plasmons is determined including both…
Quantum plasmonics is a rapidly growing field of research that involves the study of the quantum properties of light and its interaction with matter at the nanoscale. Here, surface plasmons - electromagnetic excitations coupled to electron…
We present a numerical method for grand canonical density functional theory (DFT) tailored to solid-state systems, employing Gaussian-type orbitals as the primary basis. Our approach directly minimizes the grand canonical free energy using…
Exploring the quantum geometric properties of solids beyond their topological aspects has become a key focus in current solid-state physics research. We derive the geometric formula for optical conductivity from the quantum metric tensor,…
By an idealized quantum mechanical model, we formally describe the dispersion of nonretarded electromagnetic waves that express charge density oscillations near a fixed plane in three spatial dimensions (3D) at zero temperature. Our goal is…
Understanding many processes, e.g. fusion experiments, planetary interiors and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter (WDM) and hot dense plasma. This complex state of matter consists of a…