RESONANCES IN HE-2(+)-]HEH++H REACTION IN 3-DIMENSIONS - ENERGY-RESOLVED TOTAL REACTION PROBABILITIES BY THE TIME-DEPENDENT WAVE-PACKET METHOD(H)

Vib-rotational state-selected and energy resolved total reaction proba bilities for the title reaction in three dimensions are calculated on the McLaughlin-Thompson-Joseph-Sathyamurthy potential energy surface, by the time-dependent wave packet (WP) method for the total angular mo mentum J=0. The probabilities as obtained by the time-energy mapping o f the reactive flux of the WP across a dividing surface in the asympto tic product channel reveal a large number of narrow resonances, in agr eement with the time-independent quantum mechanical results available in the literature. While initial vibrational excitation of H-2(+) is s hown, in general, to enhance the reaction probability considerably, in agreement with the experimental observations, rotational excitation h as only a marginal influence. (C) 1997 American Institute of Physics. [S0021-9606(97)00841-6].