Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions

Abstract

The many-body expansion Vint = ∑i<j V(2) (rij) + ∑i<j<k V(3) (rij, rik, rjk) +, in terms of interaction potentials between rare-gas atoms converges fast at distances r> rHS, with rHS being the hard-sphere radius at the start of the repulsive wall of t