The interatomic potential for the X1Σ+ state of ArNa+, NeNa+ and HeNa+ Original Research Article

An extended group function model has been applied to determine the interatomic potential for the X1Σ+ state of ArNa+, NeNa+ and HeNa+. The adopted basis sets for the calculations are [14s, 10p, 7d, 4f, 1g], [12s, 9p, 5d, 3f, 1g], [8s, 6p, 4d, 3f] and [12s, 9p, 5d, 3f, 1g] contracted Gaussian type functions for Ar, Ne, He, and Na respectively. On the basis of an error analysis it is concluded that the calculated binding energies are in error by no more than 0.6%, 1.0%, and 0.8%, for ArNa+, NeNa+ and HeNa+ complexes respectively. The accuracy of the calculated potentials for these complexes is superior to previously determined potentials.