Non-relativistic Solutions of the modified Hylleraas potential in the presence of external magnetic and Aharonov-Bohm flux fields for heteronuclear diatomic molecules

Abstract

In this study, we solve the Schrödinger equation with the modified Hylleraas potential (MHP) using the Nikiforov-Uvarov method in the presence of external magnetic and Aharonov-Bohm (AB) flux fields. We determine non-relativistic energy eigenvalues for various vibrational and magnetic quantum numbers, and examine the energy spectra of the MHP with and without these external fields for heteronuclear diatomic molecules like Carbon monoxide (CO) and hydrogen chloride (HCl). We observe that the presence of these fields increases the energy spectrum and breaks degeneracy. These findings could enable precision molecular spectroscopy, quantum control in molecular devices, and energy storage technologies. Additionally, we discover that the AB flux field has a more significant impact on the energy spectrum compared to the magnetic field. We also analyze the system's thermodynamic properties, including the partition function, mean energy, specific heat capacity, free energy, and entropy, providing valuable insights into its behavior. Generally, this study lays a foundation for further investigation into various quantum chemistry topics, highlighting how external fields can significantly influence the properties and behavior of molecular systems.Keywords: Thermodynamic properties; Schrödinger equation; Modified Hylleraas potential; Nikiforov-Uvarov method; Aharonov-Bohm flux