Ab initio calculation of the intermolecular energy between two hydrogen molecules near the van der Waals minimum

The interaction energy between two hydrogen molecules near the van der Waals minimum is computed as the sum of the SCF interaction energy of the supermolecule and the so-called Hartree-Fock dispersion energy. The most stable configuration is the perpendicular planar one (T configuration), this configuration being stable through the first order term. The energy averaged over the four configurations is in agreement with the available experimental data. The perturbative polarization energy is negligible near the van der Waals minimum but it seems that the charge transfer energy must be taken into account.