Currently there are no reliable theoretical approaches for calculating fully differential cross sections (FDCSs) for low-energy electron-impact ionization of large molecules. We have recently proposed the orientation-averaged molecular orbital (OAMO) for calculating cross sections averaged over molecular orientations. In this paper, we use the OAMO to calculate distorted wave Born approximation (DWBA) and molecular three-body distorted wave (M3DW) Born approximation FDCS for electron-impact ionization of the nitrogen molecule. Both coplanar symmetric and asymmetric FDCSs are investigated in the energy range of 35.6-400 eV. by comparing with the experimental data, we found that the M3DW is reasonably accurate in this energy range. We also found that the postcollision interaction plays a sufficiently important role and that the DWBA is not reliable.
J. Gao et al., "Distorted Wave Born and Three-Body Distorted Wave Born Approximation Calculations of the Fully Differential Cross Section for Electron-Impact Ionization of Nitrogen Molecules," Journal of Chemical Physics, American Institute of Physics (AIP), Jan 2005.
The definitive version is available at http://dx.doi.org/10.1063/1.2126971
Keywords and Phrases
DWBA; Electron Impact Ionisation; Molecule-Electron Collisions; Nitrogen
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