Computational Studies of Energy and Expectation Values of Modified Yukawa Potential (MYP) for some Diatomic Molecules

The modified Yukawa potential energy function is known to be a very lofty model due to its potency in predicting the behaviour of different atoms and molecules. The aim of this study is to establish numerical energies and expectation values of some diatomic molecules confined in modified Yukawa potential. By employing the basic ideas of non-relativistic quantum mechanics, the radial Schrödinger equation (SE) with modified Yukawa potential (MYP) is solved using the asymptotic iteration method (AIM). We explicitly obtained the energy value expression and their correspond-ding normalized eigen - functions in closed form for some diatomic molecules (DMs) such as hydrogen dimer (H2), lithium hydride (LiH) and hydrogen chloride (HCl), with the help of the Greene - Aldrich-type approximation scheme. Using the Hellman-Feynman theorem (HFT), we obtained the expressions for the expectation values of the selected DMs. The numerical results of the energies and expectation values of the DMs with varying quantum numbers are further presented. In addition, the graphical plots of the energies and expectation values as functions of quantum numbers have been discussed extensively. It is observed that the energies and expectation values of MYP depend greatly on the quantum numbers for the selected DMs. Our results show a great correlation when compared to other works in available literature.