Abstract
AbstractA new generalized expansion of the Born–Oppenheimer potential energy of diatomic molecules, combining a power series with Padé approximant, is introduced. It converges in the range of internuclear separation R∈〈0,∞) and can be used to reduce infrared and microwave spectra to parameters of a diatomic effective Hamiltonian. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2002
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