Accurate studies on dissociation energies of diatomic molecules

Abstract

The molecular dissociation energies of some electronic states of hydride and N 2 molecules were studied using a parameter-free analytical formula suggested in this study and the algebraic method (AM) proposed recently. The results show that the accurate AM dissociation energies D e AM agree excellently with experimental dissociation energies D e expt , and that the dissociation energy of an electronic state such as the 2 3 Δ g state of 7 Li 2 whose experimental value is not available can be predicted using the new formula.algebraic method, diatomic molecule, vibrational energy, dissociation energy

Analytical potential energy function study for the 41∏ electronic state of Na85Rb molecule

“…Recently, Sun et al proposed a variational algebraic energy consistent method (VAECM) that is used to construct APEFs for diatomic molecules [17,[26][27][28][29][30][31], the results were in good agreement with the experimental data, also got more high-lying energies converging to the dissociation energy. This work is based on the VAECM(4) APEF that is a combined form of segment functions of the Morse [32] and an extended HMS (Huxley-Murrell-Sorbie) potential [33].…”

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

“…(22) is the new analytical formula for molecular dissociation energy suggested recently [10,11]. It indicates that one may obtain the correct molecular dissociation energy D cal e of a stable diatomic electronic state using its three highest vibrational energies E υmax , E υmax−1 and E υmax−2 .…”

“…A parameter-free analytical formula for dissociation energies of stable diatomic electronic states has been proposed recently by Sun et al [10,11]. A brief outline is given below.…”