Van der Waals interaction potentials

Abstract

The ground state argon-argon interaction is calculated using the supermolecular approach. Electron correlation effects are described by means of the many-body perturbation theory. A systematic sequence of even-tempered basis sets is used in conjunction with the function counterpoise technique used as a test, rather than a correction, for basis set superposition. 65 per cent of the interaction energy associated with electron correlation effects is recovered. 47 per cent of the van der Waals minimum is calculated. The magnitude of remaining errors is discussed.