Electronic Green scattering with n-fold symmetry axis from block circulant matrices
Description
Abstract The electronic scattering Green function formalism is applied to a system processing a n-fold symmetry axis. A suitable discretization of the Lippmann-Schwinger equations leads to the inversion of block circulant matrices. This calculation is carried out by using a specialized algorithm, also described, which fully exploits the formal consequences of symmetry. Title of program: ELECTRONIC GREEN SCATTERING Catalogue Id: ADHN_v1_0 Nature of problem The purpose of this computer program is to calculate the scattered wavefunction for an electron encountering a potential barrier invariant under the operation of the Cn group. This is done by solving the linear system obtained in the framework of the Green function formalism. The Green function and the incident wavefunction coded in the program refer to the vacuum (with an unperturbed potential zero everywhere). These two functions could easily be changed if more analytical work can be carried o ... Versions of this program held in the CPC repository in Mendeley Data ADHN_v1_0; ELECTRONIC GREEN SCATTERING; 10.1016/S0010-4655(97)00141-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)