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

Etido Inyang; Christopher  Ekechukwu; I. Nwachukwu; E.  Thompson; E.  William; K.  Lawal

doi:10.26577/phst20251213

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

Authors

Etido Inyang National Open University of Nigeria Jabi-Abuja https://orcid.org/0000-0002-5031-3297
Christopher Ekechukwu
I.M. Nwachukwu https://orcid.org/0000-0003-2237-7805
Edet Thompson Department of Physics, University of Calabar, Calabar, Nigeria https://orcid.org/0000-0002-0319-3106
Eddy William Department of Physics, School of Pure and Applied Sciences, Federal University of Technology, Ikot Abasi, Nigeria https://orcid.org/0000-0002-5247-5281
Kolawole Lawal Department of Physics, National Open University of Nigeria, Jabi-Abuja, Nigeria https://orcid.org/0000-0001-8286-5195

DOI:

https://doi.org/10.26577/phst20251213

6 8

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

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How to Cite

Inyang , E., Ekechukwu, C. ., Nwachukwu, . I., Thompson, E., William, E. ., & Lawal, . K. . (2025). Non-relativistic Solutions of the modified Hylleraas potential in the presence of external magnetic and Aharonov-Bohm flux fields for heteronuclear diatomic molecules. Physical Sciences and Technology, 12(1-2), 27–37. https://doi.org/10.26577/phst20251213

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Issue

Vol. 12 No. 1-2 (2025): PHYSICAL SCIENCES AND TECHNOLOGY

Section

Theoretical Physics and Astrophysics

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