THEORETICAL CALCULATION OF PHOTODETACHMENT INTENSITIES FOR H3O-

We have calculated total and arrangement-selected photodetachment inte nsities for the H3O- anion (and its deuterated form, D3O-) using a Gre en's function in a discrete variable representation with absorbing bou ndary conditions. A multiply-shifted quasiminimal residual method is u sed to obtain the Green's function for many energies at once. We prese nt spectra obtained by explicitly treating two and four degrees of fre edom. Comparison with experiment indicates that the bending angles in the anion and neutral are more similar than in the current potential e nergy surfaces. The calculated spectra are also consistent with the su ggestion that the barrier should be ''earlier.'' (C) 1996 American Ins titute of Physics.