We examine fully differential cross sections for 176 eV electron-impact dissociative excitation-ionization of orientated D2 for transitions to final ion states 2sσg, 2pσu, and 2pπu. In previous work [Phys. Rev. A 88, 062705 (2013)PLRAAN1050-294710.1103/PhysRevA.88.062705], we calculated these cross sections using the molecular four-body distorted wave (M4DW) method with the ground-state D2 wave function being approximated by a product of two Dyson 1s-type orbitals. The theoretical results were compared with experimental measurements for five different orientations of the target molecule (four in the scattering plane and one perpendicular to the scattering plane). For the unresolved 2sσg + 2pπu final states, good agreement with experiment was found for two of the five measured orientations, and for the 2pσu final state, good agreement was found for three of the five orientations. However, theory was a factor of 200 smaller than experiment for the 2pσu state. In this paper, we investigate the importance of the approximation for the molecular ground-state wave function by repeating the M4DW calculation using a better variational wave function for the ground state.
E. Ali et al., "Fully Differential Cross Sections for Electron-Impact Excitation-Ionization of Aligned D₂," Physical Review A - Atomic, Molecular, and Optical Physics, vol. 89, no. 6, American Physical Society (APS), Jun 2014.
The definitive version is available at https://doi.org/10.1103/PhysRevA.89.062713
Center for High Performance Computing Research
Keywords and Phrases
Experiments; Ground State; Photodissociation; Scattering; Wave Functions; Distorted Waves; Electron-Impact; Final State; Fully Differential Cross Sections; Ground State Wavefunctions; Ion State; Scattering Plane; Target Molecule; Impact Ionization
International Standard Serial Number (ISSN)
Article - Journal
© 2014 American Physical Society (APS), All rights reserved.
01 Jun 2014