The vibration-rotation Schrödinger equation for the RKR potential curve of the COX1Σ+ state is solved by the variational method upon a harmonic oscillator basis set. The accuracy of the energy levels and wavefunctions is tested by calculating the frequencies of some selected vibration-rotation transitions and the centrifugal distortion constants Dv and Hv for several v values.
I. Baraldi, F. Momicchioli and M. C. Bruni, J. Chem. Soc., Faraday Trans. 2, 1976, 72, 887 DOI: 10.1039/F29767200887
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