Born total ionisation cross sections: An algebraic computing program using Maple
Philip L. Bartlett
Andris T. Stelbovics
10.17632/v95jwxc9g7.1
https://mendeley.figshare.com/articles/dataset/Born_total_ionisation_cross_sections_An_algebraic_computing_program_using_Maple/11332397
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 Hartreeâ€“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)
2019-12-06 07:32:34
Atomic Physics
Computational Physics