相关论文: Analysis of mathematical techniques for the calcul…
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the…
In QFT the effective potential is an important tool to study symmetry breaking phenomena. It is known that, in some theories, the canonical approach and the path-integral approach yield different effective potentials. In this paper we…
A program has been designed for accurately generating a potential magnetic field on a staggered grid by extrapolating the magnetic field normal to the photospheric surface. The code first calculates a magnetic potential using the Green's…
We present an efficient implementation of coupled-cluster Green's function (CCGF) method for simulating photoemission spectra of periodic systems. We formulate the periodic CCGF approach with Brillouin zone sampling in Gaussian basis at the…
The problem of diffraction of an electromagnetic plane wave by a perfectly conducting circular disk and its complementary problem, diffraction by a circular hole in an infinite conducting plate, are rigorously solved using the method of the…
Introducing electric fields into density functional theory (DFT) calculations is essential for understanding electrochemical processes, interfacial phenomena, and the behavior of materials under applied bias. However, applying user-defined…
A novel Gaussian-Sinc mixed basis set for the calculation of the one-electron electronic structure within a uniform magnetic field in three dimensions is presented. The one-electron system is used to demonstrate the utility of this new…
We present a robust algorithm for the computation of electromagnetic fields radiated by point sources (Hertzian dipoles) in cylindrically stratified media where each layer may exhibit material properties (permittivity, permeability, and…
An alternative manner is provided for solving the classical linearised problem of the radiation and diffraction of regular water waves caused by oscillation of a floating body in deep water. It is shown that the singular wave integrals of…
Plasmon spectrum and polarization operator of 1, 2, and 3 dimensional electron gas are calculated by T=0 Green function technique. It is shown that this field theory method gives probably the simplest pedagogical derivation of the…
We present a collection of well-conditioned integral equation methods for the solution of electrostatic, acoustic or electromagnetic scattering problems involving anisotropic, inhomogeneous media. In the electromagnetic case, our approach…
A method is presented for first-principles calculations of inelastic mean free paths and stopping powers in condensed matter over a broad energy range. The method is based on {\it ab initio} calculations of the dielectric function in the…
We report a linear-scaling random Green's function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states to stochastically express the density matrix, and rGF is…
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…
We investigate the use of extended phase-space symplectic integration for simulating two different classes of electron dynamics. The first one, with one and a half degrees of freedom, comes from plasma physics and describes the classical…
We measure the energy distribution of electrons passing through a two-dimensional electron gas using a scanning probe microscope. We present direct spatial images of coherent electron wave flow from a quantum point contact formed in a…
We present a method for calculating the transmission spectra, dispersion, and time delay characteristics of optical-waveguide gratings based on Green's functions and Dyson's equation. Starting from the wave equation for transverse electric…
We build on previous efforts to model CCD sensors, during illumination and collection of conversions. We use a finite summation of simple, electrostatic field models. The upgraded functionality of our framework provides specific predictions…
Laser-atom interaction can be an efficient mechanism for the production of coherent electrons. We analyze the dynamics of monoenergetic electrons in the presence of uniform, perpendicular magnetic and electric fields. The Green function…