Effects of the Pauli principle on electron scattering by open-shell targets
- 15 July 1976
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 65 (2) , 792-800
- https://doi.org/10.1063/1.433096
Abstract
The semiclassical exchange approximation and two free-electron–gas exchange approximations are applied to electron scattering from the hydrogen atom. In the triplet spin state the results are similar to our previous findings [M. E. Riley and D. G. Truhlar, J. Chem. Phys. 63, 2182 (1975)] for electron scattering by closed-shell atoms. However these results, already of useful accuracy, are improved by the inclusion of one-electron exchange terms or an orthogonality constraint. For the singlet spin state it is essential to include the one-electron exchange terms except at high impact energies (greater than about 50 eV). The approximation of Lippmann, Schey, Burke, and Chandra for treating exchange in closed-shell systems is tested and found to be less accurate than the present approximations.Keywords
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