Quantum reactive scattering of O(${}^3$P)+H${}_2$ at collision energies up to 4.4 eV

Abstract

We report the results of quantum scattering calculations for the O(${}^3$P)+H${}_2$ 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 ${}^3{A}^{\prime }$ and ${}^3{A}^{\prime \prime }$ symmetry. A larger basis set than in the previous studies was used to ensure 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.

11 pages, draft; submitted to JCP

Cited by in corpus (2)

• Non-thermal production and escape of OH from the upper atmosphere of Mars
• A quantum-mechanical investigation of O(${}^{3}P$) + CO scattering cross sections at superthermal collision energies