High-lying vibrational energies and analytical potential energy functions for some electronic states of diatomic ions

Abstract

The full vibrational spectra especially those high-lying vibrational energies in the dissociation region of the electronic state [Formula: see text] of [Formula: see text], the [Formula: see text] state of [Formula: see text], the [Formula: see text] and [Formula: see text] states of [Formula: see text] are obtained using the variational algebraic method (VAM). Then, an analytical potential energy function (APEF) with adjustable parameter [Formula: see text] for each electronic state is determined by the 4-terms variational algebraic energy consistent method (VAECM(4)) based on the VAM vibrational energies. The full vibrational energies, the vibrational spectroscopic constants, the force constants [Formula: see text], and the expansion coefficients [Formula: see text] of the potential are tabulated. Compared with experimental and other calculated results, accurate APEFs, vibrational energy levels and spectroscopic parameters are obtained with the VAECM(4) for the four electronic states of diatomic ions. The results show that the VAECM(4) method also applies to diatomic ion systems.