New combining rules for well parameters and shapes of the van der Waals potential of mixed rare gas systems

Abstract

New combining rules are presented for calculating the van der Waals well parameterse andσ as well asC 6,C 8 andC 10 for the mixed rare gas systems from the corresponding values of the homogeneous dimers. The combining rules fore andσ are tested by comparison with the recent compilation of Aziz and found to be superior to the best previous combining rules selected by Aziz. Effective Born-Mayer repulsive potential parameters are determined from the model potential of Tang and Toennies and make possible the calculations of accurate potential curves for all combinations of rare gas atoms.