State-to-state differential and integral cross sections for vibrational-rotational excitation and elastic scattering of electrons by N 2 at 5-50 eV: Calculations using extended-basis-set Hartree-Fock wave functions

John R. Rumble, Donald G. Truhlar, Michael A. Morrison

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Abstract

We have calculated differential, integral, and momentum-transfer cross sections for vibrational-rotational excitation as well as for pure rotational excitation, pure vibrational excitation, and elastic scattering for electron collisions with N2 at 5-50 eV impact energy. Scattering calculations were carried out in the fixed-nuclei approximation and excitation cross sections obtained using the sudden approximation. The interaction potential used in these calculations consists of three terms: static and local-exchange potentials, calculated from extended-basis-set Hartree-Fock wave functions as functions of internuclear distance, and a semiempirical polarization potential. Two different local exchange potentials were employed. The results are compared to each other, to previous calculations, and to experiment.

Original languageEnglish (US)
Pages (from-to)1846-1858
Number of pages13
JournalThe Journal of chemical physics
Volume79
Issue number4
DOIs
StatePublished - Jan 1 1983

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