Born total ionisation cross sections: An algebraic computing program using Maple

2019-12-06T07:32:34Z (GMT) by Philip L. Bartlett Andris T. Stelbovics
Abstract The software described in this paper uses the Maple algebraic computing environment to calculate an analytic form for the matrix element of the plane-wave Born approximation of the electron-impact ionisation of an atomic orbital, with arbitrary orbital and angular momentum quantum numbers. The atomic orbitals are approximated by Hartree–Fock Slater functions, and the ejected electron is modelled by a hydrogenic Coulomb wave, made orthogonal to all occupied orbitals of the target atom. Clensha... Title of program: BIX Catalogue Id: ADRZ_v1_0 Nature of problem Calculates the total electron impact ionisation cross-section for neutral and ionised atomic species using the first-Born approximation. The scattered electron is modelled by a plane wave, and the ejected electron is modelled by a hydrogenic Coulomb wave, which is made orthogonal to all occupied atomic orbitals, and the atomic orbitals are approximated by Hartree-Fock Slater functions. Versions of this program held in the CPC repository in Mendeley Data ADRZ_v1_0; BIX; 10.1016/S0010-4655(03)00286-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)