Rate constants for the H+ + H 2 reaction from 5 K to 3000 K with a statistical quantum method

7 pags., 9 figs., 1 tab. -- This paper is part of the JCP Special Topic on Quantum Dynamics with Ab Initio Potentials
An exhaustive investigation of state-to-state H+ + H2(v, j) → H+ + H2(v′, j′) transitions for rovibrational levels of molecular hydrogen below 1.3 eV from the bottom of the H2 well is carried out by means of a statistical quantum method, which assumes the complex-forming nature of the process. Integral cross sections for transitions involving states H2(v = 0, j = 0-12), H2(v = 1, j = 0-8), and H2(v = 2, j = 0-3) are obtained for collision energies within a range of Emin = 10-5 eV and Emax = 2 eV. Rate constants are then calculated between T = 5 K and 3000 K, and they are compared, when possible, with previous values reported in the literature. As a first application, the cooling rate coefficient of H2 excited by protons is determined and compared with a recent estimate.
T.G.L. acknowledges support from Project No. FIS2017-83157-P (MINECO/AEI/FEDER, UE).