Theoretical Studies on N2 and N2(+).
Final technical rept. 1 Sep 72-30 Jun 73,
AEROSPACE CORP LOS ANGELES CALIF CHEMISTRY AND PHYSICS LAB
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This theoretical research is directed at determining more accurate and consistent theoretical models of the excitation, emission, and deactivation properties of N2 and N2 molecular band systems excited by electrons with eventual application to upper atmospheric processes. In preparation for performing quantitative calculations on the autoionization rates leading to the formation of N2, ab initio quantum mechanical calculations were carried out on the ground state of N2 and the doublet electronic states of N2. An accurate, yet computationally simple, wavefunction was obtained for the N2X singlet sigmag state. The configuration interaction calculations that were carried out on the doublet states of N2 resulted in the identification of seven bound states not previously reported. Quantum mechanical calculations were also carried out on the Rydberg states of N2. Analysis of electron energy-loss spectra has resulted in the first determination of the excitation cross sections for valence states in N2 at 20 eV incident energy.
- Atomic and Molecular Physics and Spectroscopy