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1.
Sci Rep ; 14(1): 5527, 2024 Mar 06.
Article in English | MEDLINE | ID: mdl-38448414

ABSTRACT

In this study, we have successfully obtained the analytical solutions for the Klein-Gordon equation with new proposed a non-central exponential potential V r = D 1 - σ 0 coth ( α r ) 2 + ( η 1 + η 2 cos θ ) / r 2 sin 2 θ . Our approach involves a proper approximation of the centrifugal term, with l ' representing the generalized orbital angular momentum quantum number, and the utilization of the Nikiforov-Uvarov method. The resulting radial and angular wave functions are expressed in terms of Jacobi polynomials, and the corresponding energy equation is also derived. Our calculations of the eigenvalues for arbitrary quantum numbers demonstrated significant sensitivity to potential parameters and quantum numbers. Additionally, we evaluate the dependence of energy eigenvalues on screening parameter α for arbitrary quantum numbers n r and N to establish the accuracy of our findings. Furthermore, we determine the non-relativistic limits of the radial wave function and energy equation, which align with corresponding previous results in the case where η 1 = η 2 = 0 .

2.
J Mol Model ; 29(10): 311, 2023 Sep 12.
Article in English | MEDLINE | ID: mdl-37698769

ABSTRACT

Owing to the devise applications of molecules in industries, the bound state solution of the non-relativistic wave equation with a molecular potential function has been obtained in a closed-form using the Nikiforov-Uvarov method. The solutions of the bound state are then applied to study the information-theoretic measures such as the one-dimensional Shannon and Renyi entropic densities. The expectation values for the position and momentum spaces were obtained to verify the Heisenberg's uncertainty principle. Utilizing the energy spectrum equation, the thermodynamic vibrational partition function is obtained via the Poisson summation. Other thermodynamic function variations with absolute temperature have been obtained numerically for four diatomic molecules (H2, N2, O2, and HF) using Maple 18 software. The Shannon global entropic sum inequality has also been verified. The Renyi sum for constrained index parameters satisfies the global entropic inequality. The thermodynamic properties of the four molecules are similar and conform to works reported in the existing literature. The obtained vibrational energies are in fair agreement with the ones obtained using other forms of potential energy. The result further indicates that the lowest bounds for the Shannon, Renyi, and Heisenberg inequalities are ground states phenomena.

3.
Sci Rep ; 13(1): 8193, 2023 May 20.
Article in English | MEDLINE | ID: mdl-37210425

ABSTRACT

Thermomagnetic properties, and its effects on Fisher information entropy with Schioberg plus Manning-Rosen potential are studied using NUFA and SUSYQM methods in the presence of the Greene-Aldrich approximation scheme to the centrifugal term. The wave function obtained was used to study Fisher information both in position and momentum spaces for different quantum states by the gamma function and digamma polynomials. The energy equation obtained in a closed form was used to deduce numerical energy spectra, partition function, and other thermomagnetic properties. The results show that with an application of AB and magnetic fields, the numerical energy eigenvalues for different magnetic quantum spins decrease as the quantum state increases and completely removes the degeneracy of the energy spectra. Also, the numerical computation of Fisher information satisfies Fisher information inequality products, indicating that the particles are more localized in the presence of external fields than in their absence, and the trend shows complete localization of quantum mechanical particles in all quantum states. Our potential reduces to Schioberg and Manning-Rosen potentials as special cases. Our potential reduces to Schioberg and Manning-Rosen potentials as special cases. The energy equations obtained from the NUFA and SUSYQM were the same, demonstrating a high level of mathematical precision.

4.
Sci Rep ; 12(1): 15430, 2022 Sep 14.
Article in English | MEDLINE | ID: mdl-36104422

ABSTRACT

In this study, the effects of Aharonov-Bohm (AB) and magnetic fields on the thermodynamic and magneto-transport properties of TiH diatomic molecule using the Deng-Fan potential as a model are investigated. The functional analysis approach (FAA) is used to solve the Schrodinger equation in the presence of magnetic and AB fields with Deng-Fan potential. The energy equation, as well as the wave function, have been derived. The analytic expressions for the thermo-magnetic and transport properties of the Deng-Fan potential are derived using the energy equation and the partition function. These properties obtained are thoroughly analysed utilising graphical representations. Our analysis shows that the magnetic susceptibility of the TiH exhibits a diamagnetic behaviour, and the specific heat capacity behaviour agrees with the famous Dulong-Petit law when the system is subjected to AB field variations and a fixed magnetic field. Albeit, a slight anomaly is observed in the behaviour of the specific heat capacity. Our findings will be valuable in various fields of physics, including chemical and molecular physics and condensed matter physics, where the derived models could be applied to study other diatomic molecules and quantum dots, respectively.

5.
J Mol Model ; 26(11): 311, 2020 Oct 21.
Article in English | MEDLINE | ID: mdl-33089429

ABSTRACT

An approximate solution of the one-dimensional relativistic Klein-Gordon equation was obtained under the interaction of an improved expression for Wei potential energy function. The solution of the non-relativistic Schrödinger equation was obtained from the solution of the relativistic Klein-Gordon equation by certain mappings. We have calculated Fisher information for position space and momentum space via the computation of expectation values. The effects of some parameters of the Wei potential energy function on the Fisher information were fully examined graphically. We have also examined the effects of the quantum number n and the angular momentum quantum number ℓ on the expectation values and Fisher information respectively for some selected molecules. Our results revealed that the variation of most of the parameters of the Wei potential energy function against the Fisher information does not obey the Heisenberg uncertainty relation for Fisher information while that of the quantum number and angular momentum quantum number on Fisher information obeyed the relation.

6.
Heliyon ; 6(4): e03738, 2020 Apr.
Article in English | MEDLINE | ID: mdl-32300669

ABSTRACT

In this work, the thermodynamic properties of pseudo-harmonic potential in the presence of external magnetic and Aharanov-Bohm fields are investigated. The effective Boltzmann factor in the superstatistics formalism was used to obtain the thermodynamic properties such as Helmholtz free energy, Internal energy, entropy and specific heat capacity of the system. In addition, the thermal properties of some selected diatomic molecules of N 2 , C l 2 , I 2 and C H using their experimental spectroscopic parameters and the effect of varying the deformation parameter of q = 0,0.3 , 0.7 were duly examined.

7.
J Mol Model ; 25(6): 170, 2019 May 23.
Article in English | MEDLINE | ID: mdl-31123825

ABSTRACT

By using the Nikiforov-Uvarov method, we solve the Schrödinger equation for the improved Rosen-Morse potential model in D spatial dimensions. We obtained the rotation-vibrational energies and the wave function, respectively. The ro-vibrational energies spectral of NO(a4πi) and [Formula: see text] in D-dimensions have been computed by using the rotation-vibrational energy eigenvalues equation.

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