Coriolis coupling effects in quantum dynamics calculations of the reactions H + NT (a1Δ) and isotopic effect
Department of Physics, Faculty of Science, Firat University, 23169, Elazig, Turkey
Accepted: 4 May 2021
Published online: 18 May 2021
The time-dependent wave packet method was used to investigate the dynamics of the H + NT (a1Δ) reaction and its isotopic variants based on the modified NH2 potential energy surface. The reaction probabilities, cross section, and rate constants were obtained for depletion and exchange channel of H + NT reaction using the Coriolis coupling (CC) method. The comparison of CC and centrifugal sudden (CS) results shows that the CC effect plays a significant role in the title reaction. The isotopic effect has been pointed out by comparing it with previous NH + H and ND + H results.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021