Calculation of low-energy elastic cross sections for electron-CF4 scattering

A new computational approach has been used to evaluate the rotationally summed, vibronically elastic integral cross sections from the scattering of slow electrons (energy ranging from 1.0 eV up to 40.0 eV) by tetrafluoromethane molecules in the gas phase. The various symmetry components have been an...

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Veröffentlicht in:The Journal of chemical physics 1994-05, Vol.100 (9), p.6464-6471
Hauptverfasser: Gianturco, F. A., Lucchese, R. R., Sanna, N.
Format: Artikel
Sprache:eng
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Zusammenfassung:A new computational approach has been used to evaluate the rotationally summed, vibronically elastic integral cross sections from the scattering of slow electrons (energy ranging from 1.0 eV up to 40.0 eV) by tetrafluoromethane molecules in the gas phase. The various symmetry components have been analyzed using the exact static exchange approximation and also by including a nonempirical, model polarization potential employed before by our group. A comparison with earlier calculations and with existing experiments allows us to assign the symmetries of the shape resonances in the 5–30 eV energy region which are seen by experiments and are also shown by the present calculations.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.467237