Diatomic molecules as perturbed Morse oscillators. III. Perturbed eigenfunctions and Franck–Condon factors

Publisher Website
Google Scholar
Abstract
Formulas are presented for eigenfunctions of rotating perturbed Morse oscillators as linear combinations of Morse eigenfunctions. Numerical techniques for computing these eigenfunctions are discussed and illustrated, and orthonormality properties are described in the attempt to determine the accuracy of the eigenfunctions. Franck–Condon factors are computed for the B 1Πu–X 1Σg + band system of Na2, the B 3Πg–X 1Σg + and C 3Πu–B 3Πg systems of N2, and the A 1Σu +–X 1Σg + system of Ca2 and compared with published results of RKR computations. Rotational effects are included for the latter band system.