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

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    ThompsonW_JCP_101(10)8620.pdf (722.0Kb)
    Issue Date
    1994-09-01
    Author
    Thompson, Ward H.
    Miller, William H.
    Publisher
    American Institute of Physics
    Type
    Article
    Article Version
    Scholarly/refereed, publisher version
    Metadata
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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.
    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.
    URI
    http://hdl.handle.net/1808/16182
    DOI
    https://doi.org/10.1063/1.468057
    ISSN
    0021-9606
    Collections
    • Chemistry Scholarly Works [610]
    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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    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

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