Related papers: Finite-Size Corrections to Defect Energetics along…
The finite nuclear size correction to the bound-electron g factor in hydrogenlike atoms is investigated in the range Z=1-20. An analytical formula for this correction which includes the non-relativistic and dominant relativistic…
The goal of this paper is to establish a global well-posedness for a broad class of strictly hyperbolic Cauchy problems with coefficients in $C^2((0,T];C^\infty(\mathbb{R}^n))$ growing polynomially in $x$ and singular in $t$. The problems…
Defect centers in GaN emerge as bright sources of single-photons which recently have been demonstrated to optically interface a localized spin. However, the structure and composition of these defects as well as their efficient excitation…
In the standard "monoenergetic" approach to numerical calculation of stellarator neoclassical transport, to expedite computation, ad-hoc changes are made to the kinetic equation so speed enters only as a parameter. Here we examine the…
In these proceedings, I shall review the basic concepts of perturbative QCD in its high-energy limit. I shall concentrate on the approach to the unitarity limit, usually referred to as saturation, as well as on the gluon-number fluctuations…
We present first principles calculations of the electronic properties of trigonal selenium with emphasis on photovoltaic applications. The band gap and optical absorption spectrum of pristine selenium is calculated from many-body…
Vacuum polarization corrections to the energy levels of bound electrons are calculated using a perturbative path integral formalism. We apply quantum electrodynamics in a framework which treats the strong binding nuclear field to all…
Present work investigates the structural, electronic and magnetic properties of wurtzite (0001) GaN nanowires (NWs) doped with Gd and point defects by employing the GGA+U approximation. We find that Ga vacancies (VGa) exhibit lower…
Is perfect error correction always worth the trouble? A framework is presented for the analysis of error detection and correction in multi-level systems of communication that takes into account degrees of freedom attended and ignored by…
In this work, a mesoscopic model based on the non-equilibrium Green's function formalism for a tight-binding-like effective Hamiltonian is used to investigate a selectively contacted quantum dot array designed for operation as a single…
Considering the increasing number of experimental results in the manufacturing process of quantum dots with different geometries, and the fact that most numerical methods that can be used to investigate quantum dots with non-trivial…
We perform a theoretical study, using {\it ab initio} total energy density-functional calculations, of the effects of disorder on the $Mn-Mn$ exchange interactions for $Ga_{1-x}Mn_xAs$ diluted semiconductors. For a 128 atoms supercell, we…
We present an approach for accurate calculation of exchange energy and total energy for excited states using time independent density functional formalism. This is done by inclusion of gradient correction into the excited state exchange…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
All-solid-state batteries are seen as promising candidates to replace conventional batteries with liquid electrolytes in many applications. However, they are not yet feasible for many relevant applications. One particular question of…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
We consider a generalized Lieb-Liniger model, describing a one-dimensional Bose gas with all its conservation laws appearing in the density matrix. This will be the case for the generalized Gibbs ensemble, or when the conserved charges are…
The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local spin density approximation, by which several configurations…
We continue the study of power corrections for $N$-jettiness subtractions by analytically computing the complete next-to-leading power corrections at $\cal{O}(\alpha_s)$ for color-singlet production. This includes all nonlogarithmic terms…
A new scheme for the numerical evaluation of the one-loop self-energy correction to all orders in Z \alpha is presented. The scheme proposed inherits the attractive features of the standard potential-expansion method but yields a…