Approximations for the exchange potential in electron scattering

Merle E. Riley, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

448 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

Bibliographical note

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

Fingerprint

Dive into the research topics of 'Approximations for the exchange potential in electron scattering'. Together they form a unique fingerprint.

Cite this