On testing diatomic vibration-rotation wavefunction for high levels (Q1067760)

The Morse potential is considered as an example of a model problem whose exact solution can be used to test numerical methods for solving the vibration-rotation equation for diatomic molecules. The difficulty with the exact Morse solution is that it depends on the generalised Laguerre polynomial which is complicated to handle for high vibrational levels. In this paper recurrence relations of these polynomials are used to determine recurrence relations for the actual wavefunction independent of the Laguerre polynomials enabling the values of the wave-function to be calculated at arbitrary points. A numerical example is given.