Eur. Phys. J. Plus (2021) 136: 554
https://doi.org/10.1140/epjp/s13360-021-01530-9

Regular Article

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

^a ssurucu@firat.edu.tr

Received: 5 March 2021
Accepted: 4 May 2021
Published online: 18 May 2021

Abstract

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.