Realistic Diatomic Potential Function

Abstract

An examination of recently published data for diatomic molecules as obtained by the Rydberg—Klein—Rees method has suggested a useful form for the potential‐energy function. This form provides an inverse‐power dependence at large distance and an extrapolation to infinity at the extreme of close approach. Relations are given to permit an arbitrarily close fit of observed spectroscopic constants. Theoretical formulas covering seven new Y_lj's of the Dunham—Sandeman series for the rotating vibrator are included. Potential curves for H₂ and HF are shown as examples, including effects of previously determined higher‐order spectroscopic constants. Other applications of the new potential are also discussed.