Some valence bond calculations for H2 with 1s and 2p basis sets

Valence bond representation for the hydrogen atom exchange reaction

“…Energies for the orthogonal excited state * of eq 18 ** = p**RC-*PC (18) have also been calculated (Table IV). In eq 18, p* is given by eq 19 * = (pSIIim + Sllul)/(Suu + p5nm)…”