TY - JOUR

T1 - State-to-state differential and integral cross sections for vibrational-rotational excitation and elastic scattering of electrons by N 2 at 5-50 eV

T2 - Calculations using extended-basis-set Hartree-Fock wave functions

AU - Rumble, John R.

AU - Truhlar, Donald G.

AU - Morrison, Michael A.

PY - 1983/1/1

Y1 - 1983/1/1

N2 - 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.

AB - 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.

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U2 - 10.1063/1.445961

DO - 10.1063/1.445961

M3 - Article

AN - SCOPUS:33748486053

VL - 79

SP - 1846

EP - 1858

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 4

ER -