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The electron spectrum in a uniform nanowire with a hexagonal cross-section is calculated by means of a numerical diagonalization of the effective-mass Hamiltonian. Two basis sets are utilized. The wave-functions of low-lying states are…
The ordinary spectrum is restricted in its applications, since it is based on the second order moments (auto and cross-covariances). Alternative approaches to spectrum analysis have been investigated based on other measures of dependence.…
A canonical quantization scheme for localized surface plasmons (LSPs) in a metal nanosphere is presented based on a microscopic model composed of electromagnetic fields, oscillators that describe plasmons, and a reservoir that describes…
A role of different components in the wave function of the weakly bound light nuclei states was studied within the framework of the cluster model, taking into account of orbitals "polarization". It was shown that a limited number of…
With nanoelectronics reaching the limit of atom-sized devices, it has become critical to examine how irregularities in the local environment can affect device functionality. Here, we characterize the influence of charged atomic species on…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
Given the widespread use of density functional theory (DFT), there is an increasing need for the ability to model large systems (beyond 1,000 atoms). We present a brief overview of the large-scale DFT code Conquest, which is capable of…
Complete bases that are useful for beam propagation problems and that present the distinct property of being spatially confined at the initial plane are proposed. These bases are constructed in terms of polynomials of Gaussians, in contrast…
Electromagnetic properties of periodic two-dimensional sub-wavelength structures consisting of closely-packed inclusions of materials with negative dielectric permittivity $\epsilon$ in a dielectric host with positive $\epsilon_h$ can be…
We show that the energy levels predicted by a 1/N-expansion method for an N-dimensional Hydrogen atom in a spherical potential are always lower than the exact energy levels but monotonically converge towards their exact eigenstates for…
The eigenfunctions of electronic Hamiltonians determine the stable structures and dynamics of molecules through the local distributions of their densities. In this paper an a priori upper bound for such local distributions of the densities…
Husimi functions allow one to obtain sensible and useful phase space probability distributions from quantumechanical wavefunctions or classical wave fields, linking them to (semi-)classical methods and intuition. They have been used in…
In Poulin and Serpico [Phys. Rev. Lett. 114, 091101 (2015)] we have recently argued that when the energy of a photon injected in the primordial plasma falls below the pair-production threshold, the universality of the non-thermal photon…
We explore the computation of high-harmonic generation spectra by means of Gaussian basis sets in approaches propagating the time-dependent Schr{\"o}dinger equation. We investigate the efficiency of Gaussian functions specifically designed…
We investigate the excitation of electrostatic wakefields in metallic nanostructures (nanowires) due to the propagation of a short electron pulse. For that purpose, a dispersive (nonlocal) dielectric response of the system is considered,…
We consider the spectral and dynamical properties of quantum systems of $n$ particles on the lattice $\Z^d$, of arbitrary dimension, with a Hamiltonian which in addition to the kinetic term includes a random potential with iid values at the…
A basis set expansion is performed to find the eigenvalues and wave functions for an electron on a toroidal surface $T^2$ subject to a constant magnetic field in an arbitrary direction. The evolution of several low-lying states as a…
The electronic states in incommensurate (IC) helical magnets are studied theoretically from the viewpoint of the localization/delocalization. It is found that in the multi-band system with relativistic spin-orbit interaction, the electronic…
A theory for an electron affinity of ionic clusters is proposed both in a quasiclassical approach and with quantization of a polarization electric field in a nanoparticle. An interaction of an electron with longitudinal optical phonons in…
The dynamics of Ag(111) surface state electrons confined to nanoscale hexagonal and triangular vacancy islands are investigated using scanning tunneling spectroscopy. The lifetimes of quantised states with significant amplitude near the…