Born-Oppenheimer Expansion for Diatomic Molecules with Large Angular Momentum

by Hughes, Sharon Marie

Semiclassical and Born-Oppenheimer approximations are used to provide uniform error bounds for the energies of diatomic molecules for bounded vibrational quantum number n and large angular momentum quantum number l. Specifically, results are given when (l+1)<κε-3/2. Explicit formulas for the approximate energies are also given. Numerical comparisons for the H2+ and HD+ molecules are presented.