Analytical potential curves of some hydride molecules using algebraic and energy-consistent method

Abstract

Based on the algebraic method (AM) and the energy consistent method (ECM), an AM-ECM protocol for analytical potential energy curves of stable diatomic electronic states is proposed as functions of the internuclear distance. Applications of the AM-ECM to the 6 hydride electronic states of HF-X 1 Σ +, DF-X 1 Σ +, D35Cl-X 1 Σ +, 6LiH-X 1 Σ +, 7LiH-X 1 Σ +, and 7LiD-X 1 Σ + show that the AM-ECM potentials are in excellent agreement with the experimental RKR data and the full AM-RKR data, and that the AM-ECM can obtain reliable analytical potential energies in the molecular asymptotic and dissociation region for these molecular electronic states.