Построение гамильтониана Уотсона молекулы воды

Abstract

A computer program which can fit simultaneously the energy levels of any number of interacting vibrational states for an asymmetric top molecule H[2]O of the group C[2v] has been developed. Interactions up to fourth-order terms in the Hamiltonian, including three kinds of Fermi-type interaction and three kinds of Coriolistype interaction have been taken into account in the computer program. The part of the Hamiltonian which is diagonal in the vibrational quantum numbers is a Watson-type Hamiltonian with a maximum of 29 parameters. This program has been applied to the five interacting states (101), (021), (120), (200), and (002) of H[2]O.