Calculationg angular autocorrelation functions

[shweta]

Hi everyone,

Does anyone know any tool for the dependence of the θ(t) and φ(t) angles (in spherical coordinates) of r(t) and angular autocorrelation functions ξ(t) = ⟨r(t)·r(0)⟩, where r(t) is the radius vector from the center of mass for predicting the rotational motion of the molecule?

Any help is greatly appreciated, please!

Thank you,