Beschreibung:
<jats:p>A three-parameter potential-energy function for diatomic molecules proposed by Varshni and Shukla, has been modified to improve its accuracy. The modified function is U=De{1−(re/r)exp[−a(rp−rep)]}2, where De is the molecular dissociation energy, re is the equilibrium internuclear distance, and p=2+14(Δ12−4)(Δ12−2)/(Δ12−1), where Δ=½kere2/De, ke being the force constant. This function appears to be more accurate than previously proposed three-parameter functions.</jats:p>