The inversion of spectroscopic data to the diatomic effective Hamiltonian containing the generalized potential energy function. Ground state of PbO

Abstract

A method of inversion of spectroscopic data of a diatomic molecule to the effective Hamiltonian containing adiabatic and non-adiabatic corrections is reported. The method is based on the use of a previously suggested generalized potential energy function with correct long-range part. The potential energy function for the X 1 Σ + state of PbO is calculated by inversion of the infrared and microwave spectra.