Related papers: Exploring positron characteristics utilizing two n…
Positron Emission Particle Tracking (PEPT) is an imaging method that tracks individual radioactive particles. PEPT relies on the detection of back-to-back photon pairs emitted by positron annihilation. It requires an algorithm to locate the…
Given the growing significance of 2D materials in various optoelectronic applications, it is imperative to have simulation tools that can accurately and efficiently describe electron correlation effects in these systems. Here, we show that…
We give the first subquadratic-time approximation schemes for dynamic time warping (DTW) and edit distance (ED) of several natural families of point sequences in $\mathbb{R}^d$, for any fixed $d \ge 1$. In particular, our algorithms compute…
In this paper, we propose an efficient implementation of combining Dynamical Mean field theory (DMFT) with electronic structure calculation based on the local density approximation (LDA). The pseudo-potential-plane-wave method is used in…
We implement and benchmark the frozen core approximation, a technique commonly adopted in electronic structure theory to reduce the computational cost by means of mathematically fixing the chemically inactive core electron states. The…
A simple method of variational calculations of the electronic structure of a two-electron atom/ion, primarily near the nucleus, is proposed. The method as a whole consists of a standard solution of a generalized matrix eigenvalue equation,…
Metallic nanoparticles can localize the incident light to hotspots as plasmon oscillations, where the intensity can be increased up to four orders of magnitude. Even though the lifetime of plasmons are typically short, it can be increased…
Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the…
Collective electronic excitations "excitons" in planar optical lattices exhibit strong modifications of the radiative damping rate and directional emission pattern as compared to a single excited atom. Excitons for long wave numbers and…
As an alternative to atomistic calculations of long-wavelength acoustic modes of atomically thin layers, which are known to converge very slowly, we propose a quantitatively predictive and physically intuitive approach based on continuum…
The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of…
In this work we define single-particle potentials for a positron and a positronium atom interacting with light atoms (H, He, Li and Be) by inverting a single-particle Schr\"odinger equation. For this purpose, we use accurate energies and…
We analyze in detail the error that arises from the linearization in linearized augmented-plane-wave (LAPW) basis functions around predetermined energies $E_l$ and show that it can lead to undesirable dependences of the calculated results…
Ultrafast spectroscopies can access the dynamics of electrons and nuclei at short timescales, shedding light on nonequilibrium phenomena in materials. However, development of accurate calculations to interpret these experiments has lagged…
We investigate the spectroscopic fingerprints of electron-plasmon coupling in integrated (PES) and angle-resolved photoemission spectroscopy (ARPES). To account for electron-plasmon interactions at a reduced computational cost, we derived…
Excited-state calculations, notably for quasiparticle band structures, are nowadays routinely performed within the GW approximation for the electronic self-energy. Nevertheless, certain numerical approximations and simplifications are still…
We study exciton-plasmon coupling in two-dimensional semiconductors coupled with Ag plasmonic lattices via angle-resolved reflectance spectroscopy and by solving the equations of motion (EOMs) in a coupled oscillator model accounting for…
We propose a scheme for quantum logic spectroscopy of an electron or positron in a Penning trap. An electron or positron in a spectroscopy trap is coupled to a remote logic electron or positron via a wire to achieve motional entanglement.…
We present a simple and efficient technique in ab initio electronic-structure calculation utilizing real-space double-grid with a high density of grid points in the vicinity of nuclei. This technique promises to greatly reduce the overhead…
We use both a perturbative Green's function analysis and standard perturbative quantum mechanics to calculate the decrease in energy and the effective mass for an electron interacting with acoustic phonons. The interaction is between the…