Corrigendum to “A note on some valence bond calculations for the ground-state of the hydrogen molecule” [Inorg. Chim. Acta 358 (2005) 4049–4050]

The results of valence bond calculations for the ground-state of H2 with (a) 30 nuclear-centred 1s, 2s, 3s, 4s, 2p, 3p and 3d atomic orbitals and (b) 32 s and p atomic orbitals (16 nuclear-centred and 16 midbond) give energies of (a) −1.17245 a.u. and (b) −1.17302 a.u. when d(H–H) = 1.40 a.u. In ref. [1], an accurate VB barrier for the H + H2 → H2 + H exchange reaction was computed, using nuclear-centred atomic basis functions. As yet, VB calculations for the H3 transition state with midbond basis functions as well as nuclear-centred atomic basis functions have not been performed. In ref. [1], a VB state correlation diagram is also presented for this reaction. In refs. [12], [13] and [14], the mechanism of Eq. (A)