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
SN - 0021-9606
VL - 79
SP - 1846
EP - 1858
JO - The Journal of chemical physics
JF - The Journal of chemical physics
IS - 4
ER -