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

Abstract

Variational quantum Monte Carlo ground-state electron densities have first been obtained for N 2 at its equilibrium bond length, as well for the isoelectronic ions N + 2 and C − 2 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 N 2 , also the Thomas-Fermi and the von Weizsäcker kinetic energies have been calculated.