Quantum stereodynamics for the two product channels of the F + 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.
Skouteris
D
D
Dipartimento di Matematica e Informatica, Università degli Studi di Perugia, 06123 Perugia, Italy.
De Fazio
D
D
Cavalli
S
S
Aquilanti
V
V