Abstract
Fully numerical two-dimensional Hartree-Fock calculations are reported for the ground states of the diatomic systems He2, Li2, Be2, HF, OH-, N2, CO, BF, NO+ and CN-. total energies, electric multipole moments and electric field gradients are given. A close agreement with the seminumerical results by McCullough is obtained. High multipole moments, up to Q 10, are reported and compared to LCAO ones. The role of correlation in nuclear quadrupole coupling constants is discussed.