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Initial state‐selected reaction probabilities for OH+H2→H+H2O and photodetachment intensities for HOH− 2
Thompson, Ward H. Miller, William H.
Thompson, Ward H.
Miller, William H.
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Abstract
We have used a discrete variable representation (DVR) with absorbing boundary conditions (ABC) to calculate initial state‐selected reaction probabilities and photodetachment intensities. We apply this method to the OH+H2reaction constrained to a plane with the OH bond frozen. The 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 HOH− 2 anion. The resulting spectrum has a dominant peak which will present a test of the neutral potential energy surface upon comparison with experimental results.
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This is the publisher's version, also available electronically from http://scitation.aip.org/content/aip/journal/jcp/101/10/10.1063/1.468057.
Date
1994-09-01
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American Institute of Physics
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Thompson, Ward H.; Miller, William H. (1994). "Initial state‐selected reaction probabilities for OH+H2→H+H2O and photodetachment intensities for HOH− 2." The Journal of Chemical Physics, 101(10):8620. http://dx.doi.org/10.1063/1.468057