Approximations for the exchange potential in electron scattering

Merle E. Riley, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

429 Scopus citations

Abstract

Four new exchange potentials (the semiclassical exchange approximation, the asymptotically adjusted free-electron-gas exchange approximation, the second-order free-electron-gas exchange approximation, and the high-energy exchange approximation) are derived. Calculations are performed for elastic electron scattering from helium and argon. The results are compared to one another and to calculations using Hara's free-electron-gas approximation and the exact nonlocal exchange potential. Three of the approximations to exchange are in good agreement with the exact exchange-except at very low energy-but are much easier to use. Thus they should be very useful in electron-atom and electron-molecule scattering calculations.

Original languageEnglish (US)
Pages (from-to)2182-2191
Number of pages10
JournalThe Journal of chemical physics
Volume63
Issue number5
DOIs
StatePublished - 1975

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Copyright 2017 Elsevier B.V., All rights reserved.

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