Extensive MCSCF and Cl calculations are reported for the excited diabatic potential curves of O2 which provide routes for the dissociative recombination of O+2 with an electron. States important for dissociation of the lowest five vibrational levels of O+2 at low electron energies are described. The adequacy of the use of ground-state orbitals in excited-state calculations is assessed.
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Steven L. Guberman (2009) studied this question.
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