Full dimensional theoretical study of the torsion-viration eigenstates and torsional splittings of CH_3OH

摘要

The vibrations of methanol are studied theoretically via a fully coupled treatment of the small amplitude motions and the large amplitude torsionalmode.Van Vleck perturbation theory is used to find a representation in which the coupling between the vibrational states is reduced.The full vibration-torsion eigenstatesare obtained subsequently via matrix diagonalizaton.Teh convergnece of the perturbation