A new computer program has been developed which allows us to use the R-matrix method to study electron scattering by polyatomic molecules. Our first application is to scattering by in its linear, equilibrium geometry for energies up to 10 eV. We confirm the earlier assignment of symmetry to the resonance near 2 eV but we are unable to locate any resonance having symmetry in this energy range. We present integral and differential cross sections which are generally in excellent agreement with experiment.
Ab initio calculations are performed on the e − -N 2 scattering system, at low impact energies, using the R-matrix technique. The X 1 + g ground state and the lowest seven valence excited states, A 3 + u , B 3 g , W 3 u , B 3 − u , a 1 − u , a 1 g and w 1 u , of N 2 are included in the close coupling expansion with each state being represented by a configuration interaction wavefunction in a hybrid orbital set. Various approximations for the representation of the correlation between the target and the incident electron are investigated. Integrated and differential scattering cross sections are presented, and compared to experiment, for excitation from the ground level to optically forbidden levels. The results compare favourably with recent experiments in this energy region and remove a number of problems with our previous work.
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