Intermolecular potential surfaces from electron gas methods. II. Angle and distance dependence of the A′ and A″ Ar–NO(X 2Π) interactions

Abstract

Angle dependent intermolecular potential energy surfaces for the two states (²A′ and ²A^″) that arise from the interaction of ground (X ²Π) state NO with Ar are calculated using the electron gas model to obtain the short range interactions. The average and difference of the two interaction energies are fit to analytic forms convenient for use in scattering calculations and joined smoothly onto the long range van der Waals potential previously determined. The results, which appear to be of useful accuracy, and the applicability of the electron gas model to such open shell–closed shell interactions are discussed.