NEW RESULTS FOR THE POTENTIAL ENERGY SURFACES AND VIBRATIONAL STRUCTURE OF CERTAIN OF THE LOW-LYING STATES OF $H_{2}O^{+}$ "MCSCF-CI
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Ohio State UniversityAbstract:
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.
Description:
Author Institution: Chemistry Division, Argonne National Laboratory
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articleOther Identifiers:
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