Accuracy of Local Exchange in the Calculation of Continuum Wavefunctions
It is well known that electron exchange can play an important role in electron-impact elastic, inelastic and ionization scattering from atoms and molecules. The proper theoretical treatment of exchange yields an inhomogeneous differential equation with a non-local exchange operator. To simplify the calculation, a local approximation is often made for this non-local operator. In this paper, we examine the accuracy of this approximation for the calculation of elastic scattering continuum waves in the presence of an argon ion with a single vacancy in the p-shell. It is found that one can reliably use the local exchange approximation for ionization leading to s-state vacancies but not p-state vacancies.
D. A. Biava et al., "Accuracy of Local Exchange in the Calculation of Continuum Wavefunctions," Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 35, no. 24, pp. 5121-5130, Institute of Physics - IOP Publishing, Dec 2002.
The definitive version is available at https://doi.org/10.1088/0953-4075/35/24/313
Keywords and Phrases
Approximation theory; Continuum mechanics; Differential equations; Electron scattering; Ionization; Molecular physics; Wave equations; Continuum wavefunctions; Atomic physics
International Standard Serial Number (ISSN)
Article - Journal
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