Spectroscopic Constants of Diatomic Molecules : Theoretical Calculations Using A Morse Potential Based Model

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Spectroscopic constants of several diatomic molecules were calculated. Calculations were performed using a set of distance-energy points computed using a Morse potential energy model. A non-rigid model for the rotor were considered which mimic the actual behaviour of the vibrating diatomic molecules. Numerical calculations were performed to compute the characteristic parameters which define the Morse potential. These parameters were used to compute the spectroscopic constants for several diatomic molecules using variational and perturbational approaches. The accuracy of the model is checked by comparing the spectroscopic constants obtained for various diatomic molecules with those obtained experimentally. Good agreement between experimental and calculated values is observed.

Spectroscopic constants; Diatomic molecules; Morse potential base model