Initial state-selected reaction probabilities for OH+H,-+H+H,O and photodetachment intensities for HOH;

نویسندگان

  • Ward H. Thompson
  • William H. Miller
چکیده

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 + H, reaction constrained to a plane with the OH bond frozen. The calculated reaction probabihties have al1 the qualitative features observed in full dimensional calculations. We have similarly computed arrangement-selected photodetachment intensities for one geometry of the HOHY 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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تاریخ انتشار 1999