Journal of Physical Chemistry A, Vol.113, No.52, 14807-14812, 2009
Quantum Stereodynamics for the Two Product Channels of the F plus HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation
For the two exit arrangements of the F + HD reaction, the full scattering matrix is obtained by exact quantum dynamics on an accurate potential energy Surface. The S matrix is expressed in the stereodirected representation, for the first time, for all channels of a triatomic reaction. We analyze a collision energy where the dominant reaction mechanism is direct and a total angular momentum J = 0. It is found that the introduction of steric quantum numbers (correlated in the vector model to the angles measuring directions of approaching reactants and of separating products) provides a sharp description of stereodynamical features for both exit channels.