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

TL;DR

This study presents quantum scattering calculations for the O($^3$P)+H$_2$ reaction across energies up to 4.4 eV, providing detailed cross sections relevant for astrophysical and atmospheric chemistry.

Contribution

It introduces high-energy quantum scattering results using an expanded basis set on recent potential energy surfaces, highlighting the limitations of reduced dimensionality at higher energies.

Findings

Results agree with previous data at low energies

Breakdown of reduced dimensionality approach above 1.5 eV

Differential and momentum transfer cross sections reported

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 $^{3}A'$ and $^{3}A''$ 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.