Variational quantum Monte Carlo results for N2, N2+ and C2– utilising the four-dimensional density of Bright Wilson

Variational quantum Monte Carlo ground-state electron densities have first been obtained for N2 at its equilibrium bond length, as well for the isoelectronic ions N(Formula presented.) and C(Formula presented.) at the same bond length. These have been used to calculate the electrostatic potentials at the nucleus for all three species. Using the Bright Wilson four-dimensional density, the ground-state energy has thus been reproduced. For N2, also the Thomas–Fermi and the von Weizsäcker kinetic energies have been calculated.