Quantum reactive scattering of O({sup 3}P)+H{sub 2} at collision energies up to 4.4 eV
- Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States)
We report the results of quantum scattering calculations for the O({sup 3}P)+H{sub 2} reaction for a range of collision energies from 0.4 to 4.4 eV, important for astrophysical and atmospheric processes. The total and state-to-state reactive cross sections are calculated using a fully quantum time-independent coupled-channel approach on recent potential energy surfaces of {sup 3}A{sup ′} and {sup 3}A{sup ″} symmetry. A larger basis set than in the previous studies was used to ensure single-surface convergence at higher energies. Our results agree well with the published data at lower energies and indicate the breakdown of reduced dimensionality approach at collision energies higher than 1.5 eV. Differential cross sections and momentum transfer cross sections are also reported.
- OSTI ID:
- 22311335
- Journal Information:
- Journal of Chemical Physics, Vol. 141, Issue 16; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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