Related papers: Localized basis sets for unbound electrons in nano…
A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multi-configurational self-consistent field calculation…
Photonic bound states in the continuum are spatially localised modes with infinitely long lifetimes that exist within a radiation continuum at discrete energy levels. These states have been explored in various systems where their emergence…
The dielectric properties of metallic nanoclusters in the presence of an applied electromagnetic field are investigated using non-local linear response theory. In the quantum limit we find a non-trivial dependence of the induced field and…
The most important direction in the development of fundamental and applied physics is the study of the properties of optical systems at the nanoscale in order to create optical and quantum computers, biosensors, single-photon sources for…
The photoelectron spectrum in the ultra-relativistic limit of tunneling ionization is strongly affected by wave-particle resonance and finite spot-size effects, in contradistinction with the usual assumptions of strong field physics. Near…
Nanophotonic structures have versatile applications including solar cells, anti-reflective coatings, electromagnetic interference shielding, optical filters, and light emitting diodes. To design and understand these nanophotonic structures,…
The localization of electrons in the field of isolated nonmagnetic impurity atoms on the surface of a nanotube in a magnetic field is considered. A model of a Gaussian separable impurity potential capable of localizing an electron at any…
In scattered data approximation, the span of a finite number of translates of a chosen radial basis function is used as approximation space and the basis of translates is used for representing the approximate. However, this natural choice…
Atomic effective one-electron potentials in a compact analytic form in terms of a few Gaussian charge distributions are developed, for Hydrogen through Nobelium, for starting molecular electronic structure calculations by a simple…
A new variational basis with well-behaved local approximation properties and multiple output is proposed for Coulomb systems. The trial function has proper behaviour at all Coulomb centres. Nonlinear asymptotic parameters are introduced…
A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…
We study multi-particle interactive quantum disordered systems on a polynomially-growing countable connected graph (Z,E). The novelty is to give localization bounds uniform in finite or infinite volumes (subgraphs) in Z^N as well as for the…
The use of the hyperspherical harmonic (HH) basis in the description of bound states in an $A$-body system composed by identical particles is normally preceded by a symmetrization procedure in which the statistic of the system is taken into…
The momentum-dependent local-ansatz (MLA) wavefunction describes well correlated electrons in solids in both the weak and strong interaction regimes. In order to apply the theory to the realistic system, we have extended the MLA to the…
We investigate field quantization in high-curvature geometries. The models and calculations can help with understanding the elastic and inelastic scattering of photons and electrons in nanostructures and probe-like metallic domains. The…
The conceptual basis for the nonlocality of accelerated systems is presented. The nonlocal theory of accelerated observers and its consequences are briefly described. Nonlocal field equations are developed for the case of the…
Local scale transformations are made to vary the long range properties of harmonic oscillator orbitals conventionally used in model structure calculations of nuclear systems. The transformations ensure that those oscillator states…
Motivated by recent experiments on Al nanoparticles, we have studied the effects of fixed electron number and small size in nanoscale superconductors, by applying the canonical BCS theory for the attractive Hubbard model in two and three…
A quantum mechanical scattering theory for relativistic, highly focused electron beams near nanoscopic platelets is presented, revealing a new excitation mechanism due to the electron wave scattering from the platelet edges. Radiative…
Ionization by relativistically intense short laser pulses is studied in the framework of strong-field quantum electrodynamics. Distinctive patterns are found in the energy probability distributions of photoelectrons. Except of the already…