Potential parameters, ro-vibrational energy spectra, and expectation values of the improved deformed exponential-type potential

Abstract

In this contribution, potential parameters were derived for the improved deformed exponential-type potential (IDEP) using Varshni conditions for a diatomic molecule potential. Expression for bound state ro-vibrational energies was obtained by solving the Schrödinger equation in the presence of the IDEP. In modeling the centrifugal term of the Schrödinger equation, a Pekeris-like approximation scheme was employed. Expectation values of potential and kinetic energies were obtained for the IDEP within the framework of Hellmann–Feynman theorem. The IDEP was used to model the spectroscopic data of four diatomic molecules, viz., ICl (X 1Σg+), NaK (c 3Σ+), O2+ (X 2Πg), and NaLi (A 1Σ+). The average absolute deviation from the dissociation energy obtained was 0.1235%, 0.9227%, 1.2275%, and 1.2651%, respectively. The results demonstrated that the IDEP was an ideal model for the diatomic molecules. Data obtained for expectation values of kinetic and potential energies showed that the total energy of the system was conserved and that at upper bound vibration quantum number, the energy of the molecules was entirely kinetic.