CONVERGED VARIATIONAL QUANTUM SCATTERING RESULTS FOR THE 3-DIMENSIONAL F+D2 REACTION

Abstract

Converged J=0 quantum reaction probabilities over the translational range 0.04 to 4.84 kcal/mol are computed for the 3D F+D2 reaction, using the log derivative version of the Kohn variational principle. Rotational distributions for the DF ν′=3 and ν′=4 product states formed from the ν=0, j=0 initial state are plotted. The results are considered in the light of available experimental and theoretical work on the F+H2, F+D2 and F+HD reactions. © 1990