The energy of some doubly-excited states 1,3 Sigma u (2p sigma (u) ,2s sigma (g) ), 1,3 Sigma u (2p sigma (u) ,3s sigma (g) ), 1,3 Sigma u (2p sigma (u) ,3d sigma (g) ) and 1,3 Sigma g (2p sigma (u) ,3p sigma (u) ) of H 2 are calculated for various internuclear distances by first-order perturbation theory using as zero-order wavefunction a correlated prolate-spheroidal function containing no adjustable parameters.
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Lesech et al. (1982) studied this question.
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