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

doi:10.1088/0022-3700/12/2/018

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

Chemistry (Twin Cities)

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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 language	English (US)
Article number	018
Pages (from-to)	283-290
Number of pages	8
Journal	Journal of Physics B: Atomic and Molecular Physics
Volume	12
Issue number	2
DOIs	https://doi.org/10.1088/0022-3700/12/2/018
State	Published - 1979

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10.1088/0022-3700/12/2/018

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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. / Onda, K.; Truhlar, D. G.
In: Journal of Physics B: Atomic and Molecular Physics, Vol. 12, No. 2, 018, 1979, p. 283-290.

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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.",

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AB - 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.

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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

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