NEW RESULTS FOR THE POTENTIAL ENERGY SURFACES AND VIBRATIONAL STRUCTURE OF CERTAIN OF THE LOW-LYING STATES OF $H_{2}O^{+}$ "MCSCF-CI

Abstract

calculations have been performed on certain of the low-lying electronic states of $H_{2}O^{+}$, using basis sets of double zeta plus polarization quality. In addition, the vibrational analysis of the $\tilde{X}^{2}B_{1}$ and $\beta^{2}B_{2}$ states has been carried out. The results of these calculations will be presented and discussed with respect to both other calculations and available experimental data.