Chemical Physics Letters, Vol.381, No.5-6, 743-750, 2003
On the role of the conical intersection in H+H-2 reactive scattering
The hydrogen exchange reaction has a conical intersection and is therefore a prototype for studying geometric phase effects in reaction dynamics. We compute wave packets in hyperspherical coordinates for the reaction H + H-2 (v(0) = 0, j(0) = 0) --> H-2 + H, over the collision energy range E-col1= 0. 75 - 2.02 eV, using the plane wave packet method. Geometric phase effects are not included. The wave packets visualise the quantum dynamics around the conical intersection and relate it to the centre-of-mass scattering angle. The wave packet fails to encircle the conical intersection, making slightly less than half a revolution. This provides a physical picture for why geometric phase effects in this reaction are expected to be reduced. (C) 2003 Elsevier B.V. All rights reserved.