Knowledge Bank

Ab initio calculations have been performed on the $H2\dots CN$ Van der Waals complex. An analytical potential, which included functions up to fourth order Legendre polynomial, was fitted to the 3D potential energy surface calculated at Gauss-Legendre quadrature points. This analytical potential will be used to solve for the bound ro-vibrational eigenstates of the Van der Waals complex in order to analyze experimentally observed rotational structure. Details of the potential energy surface and results of ro-vibrational energy level calculations will be presented.