Product state-resolved reactive scattering calculations using stairshaped grids in hyperspherical coordinates for the quantum wavepacket method

Effcient calculations of the quantum product state-resolved differential cross-sections play a crucial role in unraveling the dynamics of a chemical reaction. Using hyperspherical coordinates, a stair shaped grid-based time-dependent quantum wave packet method is proposed for efficiently calculating the product quantum state-resolved reactive scattering information. As numerical examples, quantum product state-resolved reaction probabilities for the reactions of O + O2 and Cl + H2 (v 0 =1) with J = 0 are computed, which involve long-time resonance states extending over long-range grids and are difficult for obtaining accurate results using the time-dependent method. The results through calculations are being compared to those obtained using the reactant coordinate-based (RCB) method and the interaction-asymptotic decomposition method (IARD).