Classical trajectory studies of rotational transitions in Ar–CO2 collisions

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Abstract
Rotational transitions in Ar–CO2 collisions were investigated using ∼30 000 classical trajectories. Two potential energy surfaces, both using a short range potential calculated with the electron gas method but differing in the way the long range van der Waals attraction was joined to the short range interaction, were used. The resulting integral inelastic cross sections are in excellent agreement with recent molecular beam experiments and show that highly inelastic, large Δj transitions occur frequently. Calculated differential cross sections for the large Δj transitions also agree well with experiment. A disagreement between calculated and experimentally‐inferred small Δj differential cross sections is noted and possible explanations of it are discussed.