Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Thermal properties and Fisher information for diatomic molecular Hellman-modified-Kratzer potential model

A. N. Ikot, U. S. Okorie, Gaotsiwe Joel Rampho, Collins Okon Edet, P. O. Amadi, Ita O. Akpan, R. Horchani, Hewa Yaseen Abdullah

Published Jun 14, 2020• 0 citations
Publisher

Abstract

In this paper, we solved the Schrodinger equation with Hellmann-modified Kratzer potential using Nikiforov-Uvarov-Functional Analysis (NUFA) method. The obtained energy is used to study the numerical results of the ro-vibrational energy spectra for some selected diatomic molecules and their thermodynamic properties. In addition, we also investigated the Fisher information for three diatomic molecules and they all satisfied the Stam-Cramer-Rao inequalities uncertainty relations. Special cases of the potential are discussed and we compute the numerical eigenvalue of the modified Kratzer, Kratzer-Feus and Hellmann potentials for comparison with other analytical methods. The results of the present study agree with the results obtained with other known methods.

DOI
10.22541/au.159218829.96015298

Related papers

Eigenfunction, uncertainties and thermal properties of the Schrodinger equation with Screened modified Kratzer potential for diatomic molecules.

Collins Okon Edet, A. N. Ikot, U. S. Okorie +2 more

In this work, we proposed a screened modified Krazer potential and use the newly proposed Nikiforov-Uvarov-Functional Analysis (NUFA) method to obtain the energy spectrum and the corresponding wave function. With the obtained energy spectrum, we studied the numerical results for some selected diatomic molecules and our results are in good agreement with other analytical method. We also evaluated the vibrational partition function for , and diatomic molecules via the Euler–Maclaurin approach and other thermodynamic functions such as free energy, entropy, mean energy and specific heat Capacity. The expectations values of and are also calculated numerically for different diatomic molecules using the normalized wave function for the two low lying states corresponding to the ground and first excited states. Our numerical results for the selected diatomic molecules validate the Heisenberg uncertainty relation, .

•May 31, 2020•4 citations

Thermal properties and quantum information theory with the shifted Morse potential

M. E. Udoh, P. O. Amadi, U. S. Okorie +5 more

By employing the Nikiforov–Uvarov functional analysis (NUFA) method, we solved the radial Schrödinger equation with the shifted Morse potential model. The analytical expressions of the energy eigenvalues, eigenfunctions and numerical results were determined for selected values of the potential parameters. Variations of different thermodynamic functions with temperature were discussed extensively. Different quantum information-theoretic measures, including Shannon entropy, Fisher information and Fisher–Shannon product of the shifted Morse potential, were investigated numerically and graphically in position and momentum spaces for the ground and the first excited states. The quantum information theories considered satisfied their corresponding inequalities, including Bialynicki–Birula–Mycielski, Stam–Cramer–Rao inequalities and the Fisher–Shannon product relation.

Pramana•Nov 18, 2022•11 citations

Approximate bound energies of selected diatomic molecules by solving Schrodinger equation case of the modified Kratzer plus Hulthen potential

Khalid Reggab

Abstract The equation of Schrodinger is a fundamental mathematical framework used to clarify the motion of the wave form, which is a phenomenon in the field of quantum physics. A method's wave function contains the complete description of its particles. The computational solution of the Schrodinger problem is a multifaceted problem. The eigenvalues and typical functions of the modified Kratzer plus Hulthen potential were ascertained analytically in this study. This study used an estimating approach that Nikiforov-Uvarov functional analysis had suggested for dealing with the problem. Estimating energy spectra and applying the results to certain specific diatomic molecules was the aim. The excellent results obtained from this strategy were confirmed by comparing our eigenvalue data with additional numerical data that was gathered by other researchers.

•Apr 11, 2024•1 citation

Approximate solutions of the Schrödinger equation with Hulthén plus screened Kratzer Potential using the Nikiforov–Uvarov – functional analysis (NUFA) method: an application to diatomic molecules

Etido Patrick Inyang, Eddy Sunday William, Joseph Effiom-Edem Ntibi +3 more

The Schrödinger equation was solved for the Hulthén plus screened Kratzer Potential (HSKP) via the Nikiforov–Uvarov – functional analysis (NUFA) method. The bound-state energy and wave function for the HSKP were obtained in a closed form by applying the Greene–Aldrich approximation scheme to the inverse-square term. Using the resulting energy equation, we computed the energy spectra for 12 diatomic molecules (CuLi, TiH, VH, TiC, HCl, LiH, H2, ScH, CO, I2, N2, and NO) for various quantum states. To show the accuracy of our procedure, four special cases of the collective potential were obtained, and the results are in excellent agreement with the existing literature.

Canadian Journal of Physics•Jun 16, 2022•37 citations

Aharonov–Bohm (AB) flux and thermomagnetic properties of Hellmann plus screened Kratzer potential as applied to diatomic molecules using Nikiforov–Uvarov-Functional-Analysis (NUFA) method

I. B. Okon, C. A. Onate, E. Omugbe +9 more

In this work, we study an approximate bound state solution of a 2D Schrodinger equation under the influence of external magnetic and Aharonov–Bohm (AB) fields with Hellmann plus screened Kratzer potential (HPSKP) using the Nikiforov–Uvarov-functional- analysis method (NUFA). We obtained the normalised wave function expressed in terms of the Jacobi polynomial. The energy spectra were also obtained in closed form and used to study the energy levels of hydrogen and chromium hydride molecules. The partition function was evaluated using Poisson’s summation approach while other thermomagnetic properties such as free energy, mean energy, entropy, heat capacity, magnetisation, magnetic susceptibility, persistent current at zero and finite temperatures were evaluated analytically.

Molecular Physics•Mar 4, 2022•35 citations

Statistical analysis and information theory of screened Kratzer–Hellmann potential model

G.T. Osobonye, U. S. Okorie, P. O. Amadi +1 more

In this research, the radial Schrödinger equation for a newly proposed screened Kratzer–Hellmann potential model was studied via the conventional Nikiforov–Uvarov method. The approximate bound state solution of the Schrödinger equation was obtained using the Greene–Aldrich approximation in addition to the normalized eigenfunction for the new potential model, both analytically and numerically. These results were employed to evaluate the rotational–vibrational partition function and other thermodynamic properties for the screened Kratzer–Hellmann potential. The results obtained have been graphically discussed. Also, the normalized eigenfunction has been used to calculate some information-theoretic measures including Shannon entropy and Fisher information for low-lying states in both position and momentum spaces numerically. The Shannon entropy results obtained agreed with the Bialynicki-Birula and Mycielski inequality, while the Fisher information results obtained agreed with the Stam, Cramér–Rao inequality. Also, alternating increasing and decreasing localization across the screening parameter for both eigenstates was observed.

arXiv:2001.08429•Canadian Journal of Physics•Feb 12, 2021•11 citations
In this paper, we solved the Schrodinger equation with Hellmann-modified Kratzer potential using Nikiforov-Uvarov-Functional Analysis (NUFA) method. The obtained energy is used to study the numerical results of the ro-vibrational energy spectra for some selected diatomic molecules and their thermodynamic properties. In addition, we also investigated the Fisher information for three diatomic molecules and they all satisfied the Stam-Cramer-Rao inequalities uncertainty relations. Special cases of the potential are discussed and we compute the numerical eigenvalue of the modified Kratzer, Kratzer-Feus and Hellmann potentials for comparison with other analytical methods. The results of the present study agree with the results obtained with other known methods.
In this work, we proposed a screened modified Krazer potential and use the newly proposed Nikiforov-Uvarov-Functional Analysis (NUFA) method to obtain the energy spectrum and the corresponding wave function. With the obtained energy spectrum, we studied the numerical results for some selected diatomic molecules and our results are in good agreement with other analytical method. We also evaluated the vibrational partition function for , and diatomic molecules via the Euler–Maclaurin approach and other thermodynamic functions such as free energy, entropy, mean energy and specific heat Capacity. The expectations values of and are also calculated numerically for different diatomic molecules using the normalized wave function for the two low lying states corresponding to the ground and first excited states. Our numerical results for the selected diatomic molecules validate the Heisenberg uncertainty relation, .
By employing the Nikiforov–Uvarov functional analysis (NUFA) method, we solved the radial Schrödinger equation with the shifted Morse potential model. The analytical expressions of the energy eigenvalues, eigenfunctions and numerical results were determined for selected values of the potential parameters. Variations of different thermodynamic functions with temperature were discussed extensively. Different quantum information-theoretic measures, including Shannon entropy, Fisher information and Fisher–Shannon product of the shifted Morse potential, were investigated numerically and graphically in position and momentum spaces for the ground and the first excited states. The quantum information theories considered satisfied their corresponding inequalities, including Bialynicki–Birula–Mycielski, Stam–Cramer–Rao inequalities and the Fisher–Shannon product relation.
Abstract The equation of Schrodinger is a fundamental mathematical framework used to clarify the motion of the wave form, which is a phenomenon in the field of quantum physics. A method's wave function contains the complete description of its particles. The computational solution of the Schrodinger problem is a multifaceted problem. The eigenvalues and typical functions of the modified Kratzer plus Hulthen potential were ascertained analytically in this study. This study used an estimating approach that Nikiforov-Uvarov functional analysis had suggested for dealing with the problem. Estimating energy spectra and applying the results to certain specific diatomic molecules was the aim. The excellent results obtained from this strategy were confirmed by comparing our eigenvalue data with additional numerical data that was gathered by other researchers.
The Schrödinger equation was solved for the Hulthén plus screened Kratzer Potential (HSKP) via the Nikiforov–Uvarov – functional analysis (NUFA) method. The bound-state energy and wave function for the HSKP were obtained in a closed form by applying the Greene–Aldrich approximation scheme to the inverse-square term. Using the resulting energy equation, we computed the energy spectra for 12 diatomic molecules (CuLi, TiH, VH, TiC, HCl, LiH, H2, ScH, CO, I2, N2, and NO) for various quantum states. To show the accuracy of our procedure, four special cases of the collective potential were obtained, and the results are in excellent agreement with the existing literature.
In this work, we study an approximate bound state solution of a 2D Schrodinger equation under the influence of external magnetic and Aharonov–Bohm (AB) fields with Hellmann plus screened Kratzer potential (HPSKP) using the Nikiforov–Uvarov-functional- analysis method (NUFA). We obtained the normalised wave function expressed in terms of the Jacobi polynomial. The energy spectra were also obtained in closed form and used to study the energy levels of hydrogen and chromium hydride molecules. The partition function was evaluated using Poisson’s summation approach while other thermomagnetic properties such as free energy, mean energy, entropy, heat capacity, magnetisation, magnetic susceptibility, persistent current at zero and finite temperatures were evaluated analytically.
In this research, the radial Schrödinger equation for a newly proposed screened Kratzer–Hellmann potential model was studied via the conventional Nikiforov–Uvarov method. The approximate bound state solution of the Schrödinger equation was obtained using the Greene–Aldrich approximation in addition to the normalized eigenfunction for the new potential model, both analytically and numerically. These results were employed to evaluate the rotational–vibrational partition function and other thermodynamic properties for the screened Kratzer–Hellmann potential. The results obtained have been graphically discussed. Also, the normalized eigenfunction has been used to calculate some information-theoretic measures including Shannon entropy and Fisher information for low-lying states in both position and momentum spaces numerically. The Shannon entropy results obtained agreed with the Bialynicki-Birula and Mycielski inequality, while the Fisher information results obtained agreed with the Stam, Cramér–Rao inequality. Also, alternating increasing and decreasing localization across the screening parameter for both eigenstates was observed.