Close-coupling calculations with an INDOX/1s static potential, semiclassical exchange, and a semi-empirical polarisation potential for electron-CO2 elastic scattering and rotational excitation

K. Onda, D. G. Truhlar

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28 Scopus citations

Abstract

A semi-empirical molecular-orbital method for modelling the effective potential for electron-molecule scattering is applied to elastic scattering and rotational excitation of CO2 at 20 eV impact energy. Agreement with experiment is reasonably good. The calculated rotationally summed integral cross section is 67.8 a02.

Original languageEnglish (US)
Article number018
Pages (from-to)283-290
Number of pages8
JournalJournal of Physics B: Atomic and Molecular Physics
Volume12
Issue number2
DOIs
StatePublished - 1979

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