MONTE-CARLO CALCULATION OF INTERACTION ENERGIES FOR VANDERWAALS COMPLEXES

The electronic structure Schrodinger equation is solved approximately to obtain the interaction energies for the van der Waals complexes of spin-polarized H-2 and H-3 and the closed shell systems of He-2 and He-3. Both two- and three-body components of the interaction energies are reported. The interaction energies are obtained through variational and Green's function Monte Carlo calculations using optimized wavefunctions that properly correlate the electrons.