TY - JOUR
T1 - Low-energy electron-molecule scattering
T2 - Comparison of coupled channel treatments of e-N2 scattering at 13.6 eV using various approximations to the static and exchange potentials and an approximate polarization potential
AU - Rumble, John R.
AU - Truhlar, Donald G
PY - 1979/1/1
Y1 - 1979/1/1
N2 - We consider vibrationally and electronically elastic electron scattering by N2 at 13.6 eV impact energy. We use four combinations (S, SP, SE, and SEP) of the static (S), exchange (E), and polarization (P) potentials, four target molecular orbital wave functions (INDO/1s, INO/1s with double zeta core, and Cade-Sales-Wahl and Ermler ab initio), and two local exchange approximations (semiclassical and Hara free-electron gas). We also consider the effect of using an accurate wave function for the spherical average and lowest order anisotropy and an INDO/1s wave function for higher order anisotropics, as well as other ambinations. The effects of approximations to the various terms in the interaction potential and the target wave function are illustrated by calculations of the partial integral cross sections.
AB - We consider vibrationally and electronically elastic electron scattering by N2 at 13.6 eV impact energy. We use four combinations (S, SP, SE, and SEP) of the static (S), exchange (E), and polarization (P) potentials, four target molecular orbital wave functions (INDO/1s, INO/1s with double zeta core, and Cade-Sales-Wahl and Ermler ab initio), and two local exchange approximations (semiclassical and Hara free-electron gas). We also consider the effect of using an accurate wave function for the spherical average and lowest order anisotropy and an INDO/1s wave function for higher order anisotropics, as well as other ambinations. The effects of approximations to the various terms in the interaction potential and the target wave function are illustrated by calculations of the partial integral cross sections.
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U2 - 10.1063/1.438034
DO - 10.1063/1.438034
M3 - Article
AN - SCOPUS:36749116438
SN - 0021-9606
VL - 70
SP - 4101
EP - 4107
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 9
ER -