Studies on the full vibrational energy spectra for some electronic states of diatomic molecular ions XY+

Abstract

The first accurate studies on the vibrational spectroscopic constants and the corresponding full vibrational energy spectra of some electronic states of diatomic molecular ions XY⁺ were performed using algebraic method(AM). The AM is applied on the X¹?⁺ state of BeH+, the X2?+ state of CO⁺ ? the X²?g state of F₂⁺ , the A₂?u state of O₂⁺ and the X₂?_g⁺ state of Li₂⁺. The results show that AM can generate accurate vibrational spectroscopic constants as well as accurate full vibrational energy spectra by using some accurate experimental vibrational energies, and that the AM vibrational energies are better than other theoretical data.

Keywords

diatomic molecular ion，vibrational energy， algebraic method，electronic state