Comparison of the electric moments obtained from finite basis set and finite-difference Hartree-Fock calculations for diatomic molecules

A comparison is made of the accuracy with which the electric moments μ, Θ, Ω, and Φ can be calculated by using the finite basis set approach (the algebraic approximation) and finite-difference method in calculations employing the Hartree-Fock model for the ground states of 16 diatomic molecules at their experimental equilibrium geometries. Specifically, the $2^n$-pole moments $n=1,2,3,4,$ for the ${\mathrm{N}}_2,$ CO, BF, ${\mathrm{CN}}^{\mathrm{-}},$ ${\mathrm{NO}}^{+},$ BeF, BO, CN, ${\mathrm{N}}_2^{+},$ AlF, GaF, InF, TlF, MgF, CaF, and SrF molecules are determined using basis sets and grids that have been employed in previous studies of the Hartree-Fock energy.