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  • Karlsson, Hans O, et al. (author)
  • Theoretical calculation of photodetachment intensities for H3O-
  • 1996
  • In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 105:13, s. 5387-5396
  • Journal article (peer-reviewed)abstract
    • We have calculated total and arrangement-selected photodetachment intensities for the H3O- anion (and its deuterated form, D3O-) using a Green's function in a discrete variable representation with absorbing boundary conditions. A multiply-shifted quasiminimal residual method is used to obtain the Green's function for many energies at once. We present spectra obtained by explicitly treating two and four degrees of freedom. Comparison with experiment indicates that the bending angles in the anion and neutral are more similar than in the current potential energy surfaces. The calculated spectra are also consistent with the suggestion that the barrier should be ''earlier.'
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  • Result 1-1 of 1
Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Karlsson, Hans O (1)
Thompson, Ward H (1)
Miller, William H (1)
University
Uppsala University (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
1996 (1)

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