Condon Factor and r-centroid of ground and excited states of some molecules))

The public discussion of the master's thesis of the student (Ibrahim Khalil Ibrahim) Department of Physics - College of Science - University of Anbar took place on Monday 9/1/2023 in Jaber Bin Hayyan Hall for his thesis tagged:

((Calculation of spectral constants, potential curve, Frank Condon Factor and r-centroid of ground and excited states of some molecules))

This study describes the spectroscopic characteristics of some diatomic molecules, which are relevant in a variety of domains, including astronomy, chemical physics, and molecular physics, among others. The calculations were done on CaO, SiO, VO, and BaF molecules, and the results of those calculations are discussed in this thesis. Hua potential function (HPF) may be used to depict the potential energy curve for every electronic state of a diatomic molecule. The findings indicated that the potential was at its lowest when r was equal to re, but the dissociation took place as r approached the () value. Frank-Condon factors are essential characteristics for any molecular band system since they are used in the computation of the relative band intensity, which is a key source of information in quantitative spectroscopy, high-temperature chemistry, and astrochemistry spectra. In addition to this, they are essential in the process of determining the molecular structure, populating the vibrational levels in the higher electronic state that is engaged in a transition, and many other processes. On the other hand, it has been discovered that knowing r- Centroids is quite helpful when discussing the change of the electronic transition moment with internuclear separation in addition to other molecular features.