Related papers: An exact Coulomb cutoff technique for supercell ca…
We develop a random batch Ewald (RBE) method for molecular dynamics simulations of particle systems with long-range Coulomb interactions, which achieves an $O(N)$ complexity in each step of simulating the $N$-body systems. The RBE method is…
In this work we demonstrate the robustness of a real-space approach for the treatment of infinite systems described with periodic boundary conditions that we have recently proposed [J. Phys. Chem. Lett. 17, 7090]. In our approach we extract…
We present a systematic theory of Coulomb-induced correlation effects in the nonlinear optical processes within the strong-coupling regime. In this paper we shall set a dynamics controlled truncation scheme \cite{Axt Stahl} microscopic…
A high-order quadrature scheme is constructed for the evaluation of Laplace single and double layer potentials and their normal derivatives on smooth surfaces in three dimensions. The construction begins with a harmonic approximation of the…
The correlation function of two identical pions interacting via Coulomb potential is computed for a general case of anisotropic particle's source of finite life time. The effect of halo is taken into account as an additional particle's…
A tight binding model of electrons interacting via bare Coulomb repulsion is numerically investigated by use of the Density Matrix Renormalization Group method which we prove applicable also to very long range potentials. From the analysis…
We propose a general approach to reducing basis set incompleteness error in electron correlation energy calculations. The correction is computed alongside the correlation energy in a single calculation by modifying the electron interaction…
By extending the concept of Euler-angle rotations to more than three dimensions, we develop the systematics under rotations in higher-dimensional space for a novel set of hyperspherical harmonics. Applying this formalism, we determine all…
Fourier series multiscale method, a concise and efficient analytical approach for multiscale computation, will be developed out of this series of papers. The second paper is concerned with simultaneous approximation to functions and their…
We study effects of a repulsive Coulomb interaction on the spectral gap in monolayer and bilayer graphene in the vicinity of the charge neutrality point by employing the functional renormalization-group technique. In both cases Coulomb…
Although Fourier series approximation is ubiquitous in computational physics owing to the Fast Fourier Transform (FFT) algorithm, efficient techniques for the fast evaluation of a three-dimensional truncated Fourier series at a set of…
Collective charge excitations directly probed in electron energy loss and inelastic X rays scattering spectroscopies play a key role in different fields of condensed matter physics. Being induced by the long-range part of the Coulomb…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
In this paper we apply a well-tested approximation of electron Coulomb distortion effects to the exclusive reaction (e,e'p) in the quasielastic region. We compare the approximate treatment of Coulomb distortion effects to the exact…
We formulate two methods to facilitate the calculation of perturbative corrections to quantum few-body observables. Both techniques are designed for a numerical realization in combination with any tool that obtains either the entire…
Using the specific model of a bilayer of classical charged particles (bilayer Wigner crystal), we compare the predictions for energies and pair distribution functions obtained by Monte Carlo simulations using three different methods…
The scattering problem for two particles interacting via the Coulomb potential is examined for the case where the potential has a sharp cut-off at some distance. The problem is solved for two complimentary situations, firstly when the…
The paper develops a method for discrete computational Fourier analysis of functions defined on quasicrystals and other almost periodic sets. A key point is to build the analysis around the emerging theory of quasicrystals and diffraction…
The persistent current in three-dimensional mesoscopic rings is investigated numerically. The model is tight-binding one with random site-energies and interaction between electrons. The Hartree-Fock approximation is adopted for the…
We outline a rigorous method which can be used to solve the many-body Schroedinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the…