A generalized expansion of the potential energy of diatomic molecules

A new generalized expansion of the Born-Oppenheimer potential energy of diatomic molecules, combining a power series with Pade approximant, is introduced. It converges in the range of internuclear separation R epsilon <0, infinity) and can be used to reduce infrared and microwave spectra to parameters of a diatomic effective Hamiltonian. (C) 2002 Wiley Periodicals, Inc. Int.