Elastic and inelastic processes in H{sup +}+CH{sub 4} collisions in the low-kilo-electron-volt regime
- Argonne National Laboratory, Argonne, Illinois 60439 (United States)
- Theoretische Chemie, Bergische Universitaet-Gesamthochschule Wuppertal, D-42097 Wuppertal (Germany)
Electron capture and direct elastic scattering in collisions of H{sup +} ions with CH{sub 4} molecules are studied by using a molecular representation within a fully quantum-mechanical approach below 1.5 keV. Calculations are carried out at two different molecular configurations: (i) {ital C}{sub 3{ital v}} symmetry, in which H{sup +} approaches along the direction of a C-H in CH{sub 4}, and (ii) {ital C}{sub 2{ital v}} symmetry, in which H{sup +} approaches along a bisector of a H-C-H bond angle. We find that electron capture in the {ital C}{sub 2{ital v}} symmetry configuration takes place preferentially over that in the {ital C}{sub 3{ital v}} symmetry configuration at scattering angles below 15{degree} at 1.5 keV, and that the situation reverses at larger scattering angles. Hence, interferences arising from these molecular configurations on differential cross sections for electron capture and elastic scattering processes are present but weak, except for angles near the crossing. Accordingly, the total cross section for the {ital C}{sub 2{ital v}} symmetry is larger by more than an order of magnitude, because in this symmetry H{sup +} can penetrate deep inside the electron distribution of the CH{sub 4} molecule, causing a strong interaction. In addition, angular dependence in the differential cross section is quite different for the two molecular configurations at all energies studied.
- Research Organization:
- Argonne National Laboratory (ANL), Argonne, IL
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 91901
- Journal Information:
- Physical Review A, Journal Name: Physical Review A Journal Issue: 2 Vol. 52; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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