Variational quantum Monte Carlo calculation of the cohesive properties of cubic boron nitride

The cohesive properties of cubic boron nitride are calculated using the variational quantum Monte Carlo approach. The calculated properties are found to be in good agreement with experiment and demonstrate the effectiveness of the variational forms of wave functions previously used in $\mathrm{sp}$-bonded systems involving only one chemical species when applied to solids with more than one type of atom. The formulation of variance minimization for the one-body term in solids without inversion symmetry is presented, and a particularly simple form of one-body term based on a charge-fluctuation picture of electron correlation is shown to obtain excellent results for ground-state energies of B, C, and N atoms, and for the cubic boron nitride solid.