A Novel High Precision Analytic Potential Function for Diatomic Molecules

Abstract:

A new analytical potential energy functions is presented, the potential energy function is examined by 13 examples of different diatomic molecules or ions——homonuclear ground-state for neutral diatomic molecules, heternuclear ground-state for charged diatomic molecular ion, heternuclear excitation-state neutral diatomic molecules ,heternuclear excited-state for charged diatomic molecular ion, homonuclear excited-state for neutral diatomic molecule , homonuclear excited-state for charged diatomic moleculeetc.. as a consequence, the theoretical values of the vibrational energy level of molecules calculated by the potential energy function are in high-precision consistent with RKR data (Rydberg-Klein-Rees) or experimental data.

• Periodical: Key Engineering Materials (Volumes 645-646)
• Pages: 313-318
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.645-646.313
• Online since: May 2015
• Authors: Chang Feng Yu*
• Keywords: Analytical Potential Energy Function, Diatomic Molecules, Ions, RKR Method, Spectroscopic Parameters of Molecules

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