Theoretical Studies On The Analytical Potential Energy Functions Of Diatomic Molecules

There are five parts in this dissertation. The first part briefly introduces the molecular potential energy functions and the significance of this article. The second part describes the progress of the molecular potentials. The part three introduces the algebraic energy consistent method(AECM) and the variational algebraic energy consistent method(VAECM), and those are used to study analytical potential energy functions(APEFs) and full vibrational energies for diatomic molecules. In part four, based on the accurate experimental Rydberg-Klein-Rees(RKR) data, the APEFs of 5 electronic states of N2 and 6 electronic states of some interhalogen diatomic molecules are studied by using the AECM method and the VAECM method respectively. The VAECM(3) and VAECM(4) analytical potentials generated from VAECM method can amend the unphysical approach which may exist on the AECM(3) potential curves in the asymptotic and dissociation region, and show excellent agreement with the RKR data and VAM-RKR data which are superior to some other potentials.