Wh. Ansari et N. Sathyamurthy, CLASSICAL MECHANICAL INVESTIGATION OF COLLINEAR H--2+H- DYNAMICS(H), Chemical physics letters, 289(5-6), 1998, pp. 487-493
We report the results of a quasiclassical trajectory investigation of
the reaction probability (P-R) as a function of relative translational
energy for the title reaction, with H-2 in its ground vibrational sta
te (v = 0) in collinear geometry on the Starck-Meyer ab initio potenti
al energy surface and compare them with quantum mechanical results. Re
sults for H-, D-2 collisions under identical conditions are compared w
ith experimental results. The nature of the dynamics is investigated b
y examining the dependence of final vibrational action on the initial
vibrational phase (phi(i)) and by examining Poincare surface of sectio
n plots for individual trajectories in hyperbolic coordinates. It is f
ound that the dynamics is regular when PR is either zero or unity. But
when 0 < P-R < 1, some of the trajecteries are regular and some are c
haotic in behavior. (C) 1998 Elsevier Science B.V. All rights reserved
.