Theoretical study of the effect of potential models on scattering cross sections for He-HF system

Abstract

An anisotropic intermolecular potential of the He-HF complex has been obtained by utilizing the BFW analytic function to fit the intermolecular energy data, which have been calculated at the theoretical level of the single and double excitation coupled-cluster method with noniteractive perturbation treatment of triple excitation CCSD (T). And the reliability of the potential has been verified by comparing it with other potential models. The differential, partial and total scattering cross sections for collisions between He atoms and HF molecules have been calculated respectively by using the quantum close-coupling method at five different potential models, and the calculated results have been compared and analysed in detail. The research shows that the scattering cross sections are sensitive to the position where potential is zero, the well depth, the strength of the repulsive wall of the spherically averaged and to the anisotropy of the region of the well depth. We hope that the results can provide profitable reference for determining exactly the interaction potential of the atomic-molecular collision systems from the scattering cross sections.