A comparative multi-property analysis of existing models for the He–N2potential energy surface

The ability of an improved version of a recent three-dimensional ab initio potential energy surface for the He–N2 interaction [Phys. Rev. A 66, 042703 (2002)], determined from high-level coupled-cluster calculations (including full singles and doubles, perturbative triples, and Brueckner orbitals), to predict scattering cross-sections and various bulk gas mixture properties is tested. The full three-dimensional potential energy surface has been employed for the calculation of vibrational relaxation rates, and a two-dimensional version (at a fixed N2 bond length of 2.0743 a 0) has been used for the calculation of molecular beam scattering cross-sections using quantum close-coupling methods and for the calculation of bulk gas phenomena using classical trajectory methods. The results obtained from the two-dimensional version of the present potential energy surface are compared with those obtained from three other recent accurate two-dimensional representations of the He–N2 interaction.