New analytic form for the potential energy curves of stable diatomic states

Abstract

An analytic potential for stable states of diatomic molecules is proposed V=–D_e(1 +a₁r+a₂r²+a₃r³)e^–a₁r. The constants a₁, a₂ and a₃ are obtained from the harmonic, cubic and quartic force constants. The potential is shown to be superior to the Hulburt–Hirschfelder potential when tested on a least-squares basis against the spectroscopic RKR potential.