Application of the nonadiabatic phase matrix method to vibrational excitation in e^---CO2 scattering below 10eV
Abstract
Electron scattering by the CO2 molecule presents two distinct features below 10eV: a virtual state at the continuum threshold, which primarily influences low-energy ^2Σg partial cross sections, and a shape resonance of ^2Πu symmetry near 3.8eV. Previous theoretical calculations have treated these features only in the fixed-nuclei approximation, neglecting vibrational degrees of freedom. Here we study the effects of this virtual state and shape resonance on vibrationally elastic and inelastic cross sections, using the energy-modified adiabatic phase method (EMAP) (H.T. Thümmel et al.) J Phys B 26,1233 (1993) (S. Mazevet et al.) J Phys B 32,1269 (1999) and the nonadiabatic phase matrix method (NADP) (R.K. Nesbet, Phys Rev A 54), 2899 (1996), applied to ab initio fixed-nuclei R-matrices.
- Publication:
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APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts
- Pub Date:
- June 2000
- Bibcode:
- 2000APS..DMP..L927M