Initial state‐selected reaction probabilities for OH+H2→H+H2O and photodetachment intensities for HOH− 2

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Issue Date
1994-09-01Author
Thompson, Ward H.
Miller, William H.
Publisher
American Institute of Physics
Type
Article
Article Version
Scholarly/refereed, publisher version
Metadata
Show full item recordAbstract
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.
Description
This is the publisher's version, also available electronically from http://scitation.aip.org/content/aip/journal/jcp/101/10/10.1063/1.468057.
ISSN
0021-9606Collections
Citation
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
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