HIGH-ACCURACY ANALYTIC POTENTIAL FUNCTION FOR DIATOMIC-MOLECULES - APPLICATION TO CO

A method is presented for making the analytic perturbed-Morse-oscillator (PMO) potential as accurate as an RKR potential through the use of an explicit relationship between coefficients of the analytic RKR potential and PMO parameters. In addition, it is possible to include higher-order WKB effects in both RKR and PMO potentials via an iterative calculation. Techniques are applied to the ground state of the CO molecule; results are compared with those of previous calculations and tested with a modified version of the Cooley-Cashion program. © 1978.