Huo, W.
and Kim, Y.
(2000),
Use of Relativistic Effective Core Potentials in the Calculation of Total Electron-Impact Ionization Cross Sections, Journal of Chemical Physics
(Accessed October 12, 2024)
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Use of Relativistic Effective Core Potentials in the Calculation of Total Electron-Impact Ionization Cross Sections
Published
Author(s)
W M. Huo,
Abstract
The Binary-Encounter-Bethe (BEB) model of Kim and Rudd for total ionization cross sections by electron impact is re-examined when the target is an atom with principal quantum number n is greater than or equal to 3, or a molecule consisting of one or more atoms with n greater than or equal to 3. It is shown that the use of relativistic effective core potential (RECP) for heavy atoms removes the need for the empirical scaling used previously. BEB cross sections of Ar, Kr, Xe, Cl, Br, I, and WF6 calculated using RECP are found to be in good agreement with available experimental data, especially in the low energy region.Citation
Journal of Chemical Physics
Volume
319
Pub Type
Journals
Keywords
heavy atoms, ionization cross section, relativistic effective core potential, WF6
Citation
Issues
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Created December 31, 1999, Updated October 12, 2021