QUANTUM CALCULATION OF PHOTODETACHMENT SPECTRUM OF OH-(H-2)

Quantum calculation of the photodetachment spectrum for OH-(H-2) has b een carried out in full-dimensional space using the time-dependent wav epacket approach. The equilibrium geometry and harmonic frequencies fo r the OH-(H-2) configuration are obtained from extensive ab initio cal culations and the ground state wavefunction of the anion is constructe d by harmonic approximation. The quantum dynamics calculation of the F C factor shows that the end product resulting from the photodetachment of an electron from OH-(H-2) is dominated by the H-2 + OH fragment wi th only a small fraction of H + H2O fragment. The calculated spectrum is compared with the experimental result. (C) 1997 Elsevier Science B. V.