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Open Physics

Shannon entropy for Feinberg–Horodecki equation and thermal properties of improved Wei potential model

C. A. Onate, M. C. Onyeaju, I. B. Okon

Published Jan 1, 2021• 2 citations
Publisher

Abstract

Abstract We solved a one-dimensional time-dependent Feinberg–Horodecki equation for an improved Wei molecular energy potential function using the parametric Nikiforov–Uvarov method. The quantized momentum and the corresponding wave functions were obtained. With the help of the wave functions obtained, we calculated Shannon entropy for both the position space and momentum space. The results were used to study four molecules. The results of Shannon entropy were found to be in excellent agreement with those found in the literature. For more usefulness of these studies, the quantized momentum obtained was transformed into an energy equation with certain transformations. The energy equation was then used to calculate some thermodynamic properties such as vibrational mean energy, vibrational specific heat, vibrational mean free energy, and vibrational entropy via computation of the partition function. The thermodynamic properties studied for CO, NO, CH, and ScH showed that for a certain range of the temperature studied, the molecules exhibited similar features except for the vibrational entropy.

DOI
10.1515/phys-2021-0038

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Abstract We solved a one-dimensional time-dependent Feinberg–Horodecki equation for an improved Wei molecular energy potential function using the parametric Nikiforov–Uvarov method. The quantized momentum and the corresponding wave functions were obtained. With the help of the wave functions obtained, we calculated Shannon entropy for both the position space and momentum space. The results were used to study four molecules. The results of Shannon entropy were found to be in excellent agreement with those found in the literature. For more usefulness of these studies, the quantized momentum obtained was transformed into an energy equation with certain transformations. The energy equation was then used to calculate some thermodynamic properties such as vibrational mean energy, vibrational specific heat, vibrational mean free energy, and vibrational entropy via computation of the partition function. The thermodynamic properties studied for CO, NO, CH, and ScH showed that for a certain range of the temperature studied, the molecules exhibited similar features except for the vibrational entropy.
In this study, we obtained exact solutions of the Feinberg–Horodecki equation for the time-dependent Wei-Hua potential, which is constructed by the temporal counterpart of the spatial form of this potential. We obtained the quantized momentum eigenvalues and the corresponding wave functions. We obtained the partition function for the system and studied other thermodynamic properties that include vibrational mean momentum ( U), vibrational specific heat capacity ( C), vibrational entropy ( s), and vibrational free momentum ( F) as a signature in the momentum space.
Abstract In this study, we apply the parametric Nikiforov-Uvarov method to obtain the bound state solution of Schrödinger wave equation in the presence of Kratzer plus generalized Morse potential (KPGM). The energy eigen equation and the corresponding normalised wave function were obtained in closed form. The resulting energy eigen equation were use to study partition function and other thermodynamic properties such as vibrational mean energy, vibrational specific heat capacity, vibrational mean free energy and vibrational entropy for the proposed potential as applied to lithium hydride diatomic molecule. The thermodynamic plots obtained were in excellent agreement to work of existing literatures. The wave function and probability density plots for the diatomic molecules were obtained through a well designed and implemented maple programme.PACS Nos: 03.65Ge; 03.65-w; 03.65Ca
Abstract In this paper, 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 ⟨r⟩⟨r⟩⟨r⟩, ⟨r2⟩,⟨{r}^{2}⟩,⟨r2⟩, and ⟨p2⟩⟨{p}^{2}⟩⟨p2⟩ were obtained to verify 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). 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.
In this study, we apply the parametric Nikiforov-Uvarov method to obtain the bound state solution of Schrödinger wave equation in the presence of Kratzer plus generalized Morse potential (KPGM). The energy eigen equation and the corresponding normalised wave function were obtained in closed form. The resulting energy eigen equation was used to study partition function and other thermodynamic properties such as vibrational mean energy, vibrational specific heat capacity, vibrational mean free energy and vibrational entropy for the proposed potential as applied to lithium hydride diatomic molecule. The thermodynamic plots obtained were in excellent agreement to work of existing literatures. The wave function and probability density plots for the diatomic molecules were obtained through a well designed and implemented maple programme.
In this study, we apply the parametric Nikiforov-Uvarov method to obtain the bound state solution of Schrodinger wave equation in the presence of Kratzer plus generalized Morse potential (KPGM). The energy eigen equation and the corresponding normalised wave function were obtained in closed form. The resulting energy eigen equation were use to study partition function and other thermodynamic properties such as vibrational mean energy, vibrational specific heat capacity, vibrational mean free energy and vibrational entropy for the proposed potential as applied to lithium hydride diatomic molecule. The thermodynamic plots obtained were in excellent agreement to work of existing literatures. The wave function and probability density plots for the diatomic molecules were obtained through a well designed and implemented maple programme.
The exact solution of the Feinberg-Horodecki equation for time-dependent harmonic vector potential has been investigated under a one-dimensional system. The quantized momentum and its corresponding un-normalized wave functions were explicitly obtained. The Fisher information (for time and momentum) and variance (for time and momentum) were calculated using expectation values of time and momentum via Hellman-Feynman Theory (HFT). The time and momentum Shannon entropy were obtained using an existing formula. Numerical results were for time and momentum Fisher information to confirm the Cramer-Rao inequality. Another numerical results were obtained for time and momentum Shannon entropy to confirm Bialynick-Birula, Mycielski (BBM) inequality. The effects of the potential parameters such as mass of the spring and the frequency on the theoretic quantities were fully examined. The new variance inequality was established using the inequalities of Fisher information. The established inequality was confirmed by numerical results which also satisfied the popular Cramer-Rao inequality. The theoretic impetuses for Fisher information, variance and Shannon entropy respectively, were calculated and their variation with some potentials were studied.