Wh. Thompson et Wh. Miller, INITIAL STATE-SELECTED REACTION PROBABILITIES FOR OH-2-]H+H2O AND PHOTODETACHMENT INTENSITIES FOR HOH2-(H), The Journal of chemical physics, 101(10), 1994, pp. 8620-8627
We have used a discrete variable representation (DVR) with absorbing b
oundary conditions (ABC) to calculate initial state-selected reaction
probabilities and photodetachment intensities. We apply this method to
the OH+H-2 reaction constrained to a plane with the OH bond frozen. T
he calculated reaction probabilities have all the qualitative features
observed in full dimensional calculations. We have similarly computed
arrangement-selected photodetachment intensities for one geometry of
the HOH2- anion. The resulting spectrum has a dominant peak which will
present a test of the neutral potential energy surface upon compariso
n with experimental results.