The Tetrahedral X2YZ2 Molecular Model Part II. Rotation-Vibration Energies

Abstract

The appropriate quantum‐mechanical Hamiltonian is set up according to the method of Wilson and Howard for investigating rotation‐vibration energies to second‐order approximation. The vibrational term G is derived explicitly as a function of the anharmonic constants, Coriolis parameters, etc. The elements are given for the secular determinant required for evaluation of the rotational term F including dependence on Coriolis interactions, centrifugal stretching, effective moments of inertia, etc. Selection rules are discussed.