Abstract: This work investigates the best-estimated vibrational energy levels of diatomic molecules namely CN, CO and CS, which is in the best agreement with the empirical vibrational energies. Through this comparison, the best empirical potential function is offered which could be helpful in numerical and computer-based estimations. The Discrete Variable Representation (DVR) method is employed to solve nuclear Schrodinger equation for CN, CO and CS. The salvation process is done with several empirical potential functions to obtain the vibrational energy levels of these molecules. The results are compared with available experimental values and the potential functions that more accurately describe the vibrations of the prementioned molecules are found.
 

Keywords: DVR (Discrete Variable Representation), diatomic molecules, empirical potential function, vibrational energy levels