Born total ionisation cross sections: An algebraic computing program using Maple
datasetposted on 06.12.2019 by Philip L. Bartlett, Andris T. Stelbovics
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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)