COMPUTING ENERGY FLUCTUATIONS IN DIATOMIC MOLECULES THROUGH THERMODYNAMIC PROPERTIES USING THE PARTITION FUNCTION APPROACH
Abstract
ABSTRACT
This study presents a numerical and computational investigation into the energy fluctuations of three diatomic molecules—carbon monoxide (CO), hydrogen (H₂), and scandium hydride (ScH)—under a varying temperature parameter β based on two – dimension Schrödinger equation governed by Nikiforov – Uvarov Functional Analysis (NUFA) approach under the influence of magnetic field and magnetic flux. The numerical analysis indicates that when no external magnetic field is applied and , the energy spectrum experiences a slight increase. However, a higher energy spectrum is observed when an external field is introduced at and. Examining the individual effects reveals that and have a somewhat stronger impact on the energy spectrum compared to and has a limited effect on the overall energy spectrum. Additionally, it was numerically demonstrated that the energy levels remain consistent across three diatomic molecules, regardless of changes in the magnetic quantum number. Furthermore, shifts were noted in orbitals (s, p, d, f), which are uniformly affected by external variables. The values of these orbitals decrease as the orbital quantum number (n) increases, following the expected sequence: s > p > d > f.
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