Multiconfiguration self-consistent field (MCSCF) wavefunctions are obtained for the ground and some low-lying valence excited states of the same symmetry for the diatomic systems CN and AlO. The spectroscopic constants of these states as well as their dipole moments as a function of the internuclear separation are also calculated and compared with previous theoretical and experimental results.
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Das et al. (1974) studied this question.
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