| Summary: | A series of ab initio calculations has been performed in the Born-Oppenheimer approximation for some electronic states of OH. Wavefunctions and energies are calculated variationally. The form chosen for the wave-function is a finite linear superposition of configurations. Molecular orbitals are formed by Schmidt-orthogonalizing the atomic orbitals, each of which is represented by a single Slater-type orbital. The variational parameters are the coefficients in the linear expansion of the wave-function, and the non-linear parameters [character omitted] of the Slater-type orbitals.
Wavefunctions and potential energy curves are given for some of the lower-lying ²Σˉ and ²Σˉ and ²Πstates.
One result of note is that the lowest ²Σˉ state is bound. This disagrees with an earlier calculation (Harris and Michels, 1969), but it is in accord with a recent interpretation of the spectrum (Pryce, 1971). === Science, Faculty of === Physics and Astronomy, Department of === Graduate
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