Langevin model of the rotational motion of molecules: Two-dimensional rotator in a cubic potential

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Abstract
The rotational motion of a linear molecule in a potential of cubic symmetry is treated in the framework of the Langevin equation. The corresponding Langevin equation is solved numerically. From these numerical data, time-dependent correlation functions are extracted and compared with the results of other models. It is found that the harmonic approximation is good for potential barriers higher than about eight times the thermal energy. Earlier models describe the static behavior very well, but they do not describe dynamic properties correctly. For potential barriers comparable to the thermal energy, the Langevin equation seems to provide the most realistic description.

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