Vibrational-rotational levels and wavefunctions of diatomic RKR potentials. Variational approach
Abstract
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.