Related papers: Electrostatics-based finite-size correction for fi…
We present a complete one-loop analysis of charged scalar boson pair production in photon-photon collisions, $\gamma\gamma \to H^\pm H^\mp$, within the framework of the Inert Doublet Model (IDM). The calculation is carried out in the…
In this paper, a new type of multi-level correction scheme is proposed for solving eigenvalue problems by finite element method. With this new scheme, the accuracy of eigenpair approximations can be improved after each correction step which…
We consider the Brans-Dicke Reissner-Nordstrom spacetime in isotropic coordinates and the electrostatic field of an electric point charge placed outside its surface of inversion. We treat the static electric point charge as a linear…
A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an effective and efficient method for defect structure…
This paper derives an a posteriori error estimator for the nonlinear first-order optimality conditions associated with the electrically and flexoelectrically coupled Frank-Oseen model of liquid crystals, building on previous results for…
The parity-violating asymmetry, including leading-order QED corrections to the Coulomb potential, is calculated non-perturbatively by solving the Dirac equation. At GeV collision energies and forward scattering angles, QED effects enhance…
In this work, we consider the general family of the so called ADER PNPM schemes for the numerical solution of hyperbolic partial differential equations with \textit{arbitrary} high order of accuracy in space and time. The family of one-step…
Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are…
We present a relativistic correction scheme to improve the accuracy of 1s core-level binding energies calculated from Green's function theory in the $GW$ approximation, which does not add computational overhead. An element-specific…
We use the semi-classical approximation in perturbative scalar quantum electrodynamics to calculate the quantum correction to the Larmor radiation formula to first order in Planck's constant in the non-relativistic approximation, choosing…
In several preceding studies, the explicitly covariant formulation of light front dynamics was developed and applied to many observables. In the present study we show how in this approach the renormalization procedure for the first…
We investigate the finite size corrections to the equilibrium magnetization of an Ising model on a random graph with $N$ nodes and $N^{\gamma}$ edges, with $1 < \gamma \leq 2$. By conveniently rescaling the coupling constant, the free…
A simple analytic model of point-ion electrostatics has been previously proposed in which the magnitude of the net charge q_i on each atom in an ordered or random alloy depends linearly on the number N_i^(1) of unlike neighbors in its first…
This paper proposes a charge-conserving, variational, spatio-temporal discretization for the drift-kinetic Vlasov-Maxwell system, utilizing finite-elements for the electromagnetic fields and the particle-in-cell approach for the Vlasov…
Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatomic potentials is of urgent need under present circumstances,…
The $GW$ approximation is based on the neglect of vertex corrections, which appear in the exact self-energy and the exact polarizability. Here, we investigate the importance of vertex corrections in the polarizability only. We calculate the…
A multilevel correction scheme is proposed to solve defective and nodefective of nonsymmetric partial differential operators by the finite element method. The method includes multi correction steps in a sequence of finite element spaces. In…
Based on an analysis of the short range chemical environment of each atom in a system, standard machine learning based approaches to the construction of interatomic potentials aim at determining directly the central quantity which is the…
The M\"ONCH hybrid pixel detector, with a 25 \textmu m pixel pitch and fast charge-integrating readout, has demonstrated subpixel resolution capabilities for X-ray imaging and deep learning-based electron localization in electron…
The possibility to construct and parametrize the nonbonded interactions in atomistic force fields based on the valence electron structure of molecules is explored in this paper. Three different charge distribution models using simple…