The H + HeH(+) → He + H2(+) reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants

Phys Chem Chem Phys. 2014 Jun 21;16(23):11662-72. doi: 10.1039/c4cp00502c.

Abstract

In this work, we present a quantum mechanical scattering study of the title reaction from 1 mK to 2000 K. Total integral cross sections and thermal rate constants are compared with previous theoretical and experimental data and with simpler theoretical models to understand the range of validity of the approximations used in the previous studies. The obtained quantum reactive observables have been found to be nearly insensitive to the roto-vibrational energy of the reactants at high temperatures. More sensitive to the reactant's roto-vibrational energy are the data in the cold and ultra-cold regimes. The implications of the new data presented here in the early universe scenario are also discussed and analyzed.