Modelling of diatomic molecules

A new general molecular potential is introduced to model diatomic molecular structures. Eigenfunctions and rotational-vibrational energy eigenvalue equation of the Schrödinger particle in the presence of centrifugal term are obtained for the general molecular potential. By using this rotational-vibrational energy eigenvalue equation, we calculate vibrational energy eigenvalues of 7Li2(6 1Πu), SiC(X 3Π), , ScI(X 1Σ+), and Na2(5 1Δg) molecules and the results are compared with Rydberg–Klein–Rees (RKR) data. We show that the general molecular potential is very convenient for diatomic molecules in fitting RKR data. Also, we show that the general molecular potential can be reduced to Rosen–Morse and Trigonometric Pöschl–Teller potentials which are used for some vibrations of some polyatomic molecules such as NH3 and SO2.