CONSTRUCTION OF BOUND-STATE POTENTIAL-ENERGY CURVES OF DIATOMIC-MOLECULES FROM VIBRATION ROTATIONAL SPECTROSCOPIC DATA

By means of a purely quantum mechanical method we construct accurate analytic adiabatic potential energy curves for diatomic molecules from vibration-rotational transition frequencies. Our potential energy functions for two sample molecules, CO and HCl, are in better agreement with available Rydberg-Klein-Rees (RKR) turning points and reproduce the experimental data more accurately than corresponding curves obtained by other authors. The perturbation series for the calculated line positions in terms of the small parameter 2B(e)/omega(e), where B(e) and omega(e) are the rotational and vibrational spectroscopic constants, respectively, exhibits better convergence properties when applied to our potential energy functions.