INITIAL STATE-SELECTED REACTION PROBABILITIES FOR OH-2-]H+H2O AND PHOTODETACHMENT INTENSITIES FOR HOH2-(H)

Citation
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
Citations number
98
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
101
Issue
10
Year of publication
1994
Pages
8620 - 8627
Database
ISI
SICI code
0021-9606(1994)101:10<8620:ISRPFO>2.0.ZU;2-A
Abstract
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.