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Scientific Reports

Analytical determination of theoretic quantities for multiple potential

C. A. Onate, M. C. Onyeaju, Abimbola Abolarinwa, Adewale Folaranmi Lukman

Published Oct 16, 2020• 12 citations
Publisher

Abstract

The approximate analytical solutions of the three-dimensional radial Schrödinger wave equation with a multiple potential function has been studied using a suitable approximation scheme to the centrifugal term in the framework of parametric Nikiforov-Uvarov method. The energy equation and the wave function were obtained. The calculated wave function was used to study Shannon entropy and variance via expectation values. The behaviour of Shannon entropy and variance respectively with the equilibrium bond length were examined in detail. A special case of the multiple potential (pseudoharmonic-like potential) was equally examined under Shannon entropy and variance. For further application of the study, some diatomic molecules were examined under variance and Shannon entropy. Finally, some variance inequalities were derived using Cramer-Rao uncertainty relation and these were justified by numerical results.

DOI
10.1038/s41598-020-73372-x

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The approximate analytical solutions of the three-dimensional radial Schrödinger wave equation with a multiple potential function has been studied using a suitable approximation scheme to the centrifugal term in the framework of parametric Nikiforov-Uvarov method. The energy equation and the wave function were obtained. The calculated wave function was used to study Shannon entropy and variance via expectation values. The behaviour of Shannon entropy and variance respectively with the equilibrium bond length were examined in detail. A special case of the multiple potential (pseudoharmonic-like potential) was equally examined under Shannon entropy and variance. For further application of the study, some diatomic molecules were examined under variance and Shannon entropy. Finally, some variance inequalities were derived using Cramer-Rao uncertainty relation and these were justified by numerical results.
The approximate analytical solutions of the non-relativistic Schrӧdinger equation for the Attractive potential model with the centrifugal term are investigated using the elegant methodology of the parametric Nikiforov-Uvarov. The energy equation and the corresponding un-normalized radial wave functions are obtained in a close and compact form after a proper Greene-Aldrich approximation scheme is applied. By changing the numerical values of some potential strengths, special cases of the Attractive potential are investigated in detail. The effects of the potential strengths and potential range respectively on the energy are also studied. The energy is found to be very sensitive to each of the potential parameters. Some theoretic quantities such as information energy, Rẻnyi entropy and Tsallis entropy.
The approximate analytical solution of the 3-dimensional radial Schrödinger equation in the framework of the parametric Nikiforov-Uvarov method was obtained with a hyperbolical exponential-type potential. The energy eigenvalue equation and the corresponding wave function have been obtained explicitly. Using the integral method, we calculated Shannon entropy, information energy, Fisher information, and complexity measure. It was deduced that the complexity measure calculated using Shannon entropy with information energy and that calculated using Shannon entropy with Fisher information were similar.
This study utilizes the Nikiforov-Uvarov method to solve the Schrödinger equation for the class of inversely quadratic Yukawa potential (CIQYP), deriving both the energy equation and the normalized wave function. Shannon entropy and Fisher information in both position and momentum spaces are analyzed for low-energy states using the wave function. The Bialynicki-Birula-Mycielski and Stam-Cramer-Rao inequalities are satisfied for the Shannon and Fisher information entropies, illustrating the complementary uncertainties inherent in position and momentum in quantum mechanics. The study underscores the interplay between position and momentum Fisher entropies, reinforcing the Heisenberg uncertainty principle, which imposes limits on the precise simultaneous measurement of conjugate variables. Eigenvalues of the CIQYP for three diatomic molecules (N₂, O₂, and NO) are obtained using their respective data, revealing that the bound state energy spectra of these diatomic molecules increase as both the principal quantum number and angular momentum quantum number rise. Expectation values were numerically determined, and the potential model simplifies to the Kratzer potential under specific boundary conditions, thereby ensuring analytical accuracy. The energy spectra of diatomic molecules such as I₂ and CO are examined, showing that for a fixed principal quantum number, the energy spectrum increases with increasing angular momentum quantum number, in very good agreement with previously obtained results using different analytical methods.
The radial Schrödinger equation was solved with the combination of three important potentials with [Formula: see text] as deformed parameter via the parametric Nikiforov–Uvarov method and the energy equation as well as the corresponding normalized radial wave function were obtained in close and compact form. The energy equation obtained was used to study eight molecules. The effect of the deformed parameter on energy eigenvalues was also studied numerically. The subset of the combined potential was also studied numerically and the results were found to be in agreement with the previous results. To extend the application of our work, the wave function obtained was used to calculate some theoretic quantities such as the Tsallis entropy, Rényi entropy and information energy. By putting the Tsallis index to 2, we deduced the information energy from Tsallis entropy. Finally, the effect of the deformed parameter and screening parameter, respectively, on the theoretic quantities were also studied.
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.
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.