Calculation of Molecular Constants, Potential Energy Curves, and Franck-Condon Factors for Lead Oxide

摘要

This paper deals with the preparation of potential energy curves and Franck-Condon factors for diatomic molecules, specifically lead oxide. The starting point for the calculations is the spectroscopic data which can include observations of transitions between rotational, vibrational, and electronic states. Once the data is gathered it can be used to calculate Dunham type coefficients or molecular constants, From these constants the potential energy curve can be calculated by an RKR analysis. From analysis (IPA)the wave functions can be calculated. Finally, Franck-Condon factors can be calculated. Calculations are presented for the diatomic molecule, lead oxide (PBO).