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In recent years, a growing experimental program has begun to search for sub-GeV dark matter through its scattering with electrons. An associated theoretical challenge is to compute the dark matter scattering rate in experimental targets,…
Recently a dark matter-electron (DM-electron) paradigm has drawn much attention. Models beyond the standard halo model describing DM accelerated by high energy celestial bodies are under intense examination as well. In this Letter, a…
We present a study of the dielectric function of metallic (III,Mn)V diluted magnetic semiconductors in the infrared regime. Our theoretical approach is based on the kinetic exchange model for carrier induced (III,Mn)V ferromagnetism. The…
Interfaces of dye molecules and two-dimensional transition metal dichalcogenides (TMDCs) combine strong molecular dipole excitations with high carrier mobilities in semiconductors. F\"orster type energy transfer is one key mechanism for the…
Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using…
The energy and angular dependence of double differential cross sections d2sigma/dOmega dE were measured for p, d, t, 3,4,6He, 6,7,8Li, 7,9,10Be, 10,11B, and C produced in collisions of 1.2, 1.9, and 2.5 GeV protons with a Ni target. The…
The Semiempirical Pseudopotential Method (SEPM) has emerged as a valuable tool for accurately determining band structures, especially in the realm of low-dimensional materials. SEPM operates by utilizing atomic pseudopotentials, which are…
We present results on the reconstruction of electromagnetic (EM) activity from photons produced in charged current $\nu_{\mu}$ interactions with final state $\pi^0$s. We employ a fully-automated reconstruction chain capable of identifying…
In automotive power electronics, distortion and electromagnetic interference (EMI) generated by the switching action of power semiconductors can be a significant challenge for the design of a compact, lightweight vehicle. As semiconductor…
In the past five years enormous progress has been made in the ab initio calculations of the optical response of electrons in semiconductors. The calculations include the Coulomb interaction between the excited electron and the hole left…
We discuss an efficient approach to excited electronic states within ab-initio many-body perturbation theory (MBPT). Quasiparticle corrections to density-functional theory result from the difference between metallic and non-metallic…
Amplitude Estimation (AE) is a critical subroutine in many quantum algorithms, allowing for a quadratic speedup in various applications like those involving estimating statistics of various functions as in financial Monte Carlo simulations.…
We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applying GW as perturbation to the ground state of the fictitious,…
Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. Beyond local density approximation, the generalized gradient…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
We introduce the EMC algorithm for reconstructing a particle's 3D diffraction intensity from very many photon shot-noise limited 2D measurements, when the particle orientation in each measurement is unknown. The algorithm combines a…
In this work, we are concerned with the mathematical modeling of the electromagnetic (EM) scattering by arbitrarily shaped non-magnetic nanoparticles with high refractive indices. When illuminated by visible light, such particles can…
We present valence electron Compton profiles calculated within the density-functional theory using the all-electron full-potential projector augmented-wave method (PAW). Our results for covalent (Si), metallic (Li, Al) and hydrogen-bonded…
A major challenge in creating a quantum computer is to find a quantum system that can be used to implement the qubits. For this purpose, deep centers are prominent candidates, and ab initio calculations are one of the most important tools…
Dark matter in the sub-GeV mass range is a theoretically motivated but largely unexplored paradigm. Such light masses are out of reach for conventional nuclear recoil direct detection experiments, but may be detected through the small…