Accurate vibrational energy spectra and dissociation energies of some diatomic electronic states

Abstract

An algebraic method (AM) used to study the full vibrational spectra of diatomic systems, and an analytical formula used to calculate accurate molecular dissociation energies are applied to study the full vibrational spectra and molecular dissociation energies of some electronic states of homonuclear and heteronuclear diatomic molecules and diatomic ions. Studies show that the AM method and the analytical expression are reliable and economical physical methods for studying full vibrational spectra and molecular dissociation energies of diatomic electronic systems theoretically. They are particularly useful for those diatomic systems whose highlying vibrational energies may not be available. PACS numbers 33.20.Vq ½ ÁÒØÖÓ Ù Ø ÓÒMolecular vibrational energies, especially accurate highlying vibrational energies, have very important significance for investigating molecular long-rang interactions and reaction dynamics in dissociation regions. Studies show that the process of chemical reactions not only depends on the system energies, but also on the en-