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International Journal of Quantum Chemistry

Quantum information‐theoretic measures for the static screened Coulomb potential

Cecilia N. Isonguyo, K. J. Oyewumi, Opeyemi S. Oyun

Published Mar 9, 2018• 47 citations
Publisher

Abstract

Abstract In this research work, the quantum information‐theoretic analysis of the static screened Coulomb potential has been carried out by studying both analytically and numerically the entropic measures, Fisher information as well as the Onicescu information energy of its wave function. Explicit expressions of these information‐theoretic measures were obtained. Using the Srivastava–Daoust linearization formula in terms of the multivariate Lauricella hypergeometric function, the Rényi entropy, Tsallis entropy, Onicescu information energy were analytically obtained. From the results obtained, it is observed that some of the Shannon entropies are negative, indicating that, negative entropies exists for the probability densities that are highly localized. The trends in the variation of the information‐theoretic measures with the potential screening parameter a for this atomic model are discussed. The Bialynicki‐Birula, Mycielski inequality (BBM), and the Fisher information based uncertainty relation are also verified.

DOI
10.1002/qua.25620

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The approximate solutions of the Schrödinger equation with the central generalized Hulthén and Yukawa potential are investigated within the framework of the functional method. The obtained wave function and the energy levels are used to study the Shannon entropy, Renyi entropy, Fisher information, Shannon Fisher complexity, Shannon power and Fisher-Shannon product in both position and momentum spaces for the ground and first excited states. The theoretic information theories such as Shannon entropies Sr,Sp, Fisher information Ip,Ip and Renyi entropies Rβ as well as the information entropy probability densities ρ(r),ϕ(p) are illustrated graphically. The Bialynicki-Birula – Mycielski (BBM) inequality for the Shannon entropies and the Cramer-Rao inequality for the Fisher information are satisfied for the potential model.
ABSTRACT The dimensional analysis of the position and momentum variances‐based quantum mechanical Heisenberg uncertainty measures was carried out for generalized Yukawa‐type potential. The entropic information measures given by Shannon entropy sums and Fisher information products were obtained out for generalized Yukawa‐type potential. It is interesting to observe that the Shannon entropy in position space, , increases and then decreases with the quantum number , suggesting a growth in delocalization due to a rapid increase in fluctuations. Likewise, the Shannon entropy in momentum space, , decreases and then increases with the quantum number , and vice versa. This unusual phenomenon may be explained by the parity restrictions inherent in the system. The Bialynicki‐Birula and Mycielski (BBM) entropic uncertainty relation was verified to be saturated; however, the sum of the entropies increases with the quantum number up to a certain point and then decreases as continues to increase. We also found that the Fisher information accurately increases with the quantum number . The numerical results that support the validity of the scaling properties for Shannon entropy sum and Fisher information product were presented. The existence of a squeezed phenomenon in the ground and first excited state for some values of the potential screening parameter in momentum space was found. The Heisenberg uncertainty relation is met when the squeeze in one coordinate is compensated by an increase in the other coordinate. The results obtained exceed the theoretical lower bounds for all the information‐theoretic measures considered, confirming their physical validity and accuracy.
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Abstract In this paper, Shannon entropy and Fisher information is studied for the screened Kratzer potential model and compared with the screened Coulomb in three dimensions. Our results showed similar higher‐order characteristic behavior for position and momentum space. Our numerical results showed that increases in the accuracy of predicting particle location occurred in the position space. Our result shows that the sum of the position and momentum entropies satisfies the lower‐bound Berkner, Bialynicki‐Birula, and Mycieslki inequality. The Stam‐Cramer‐Rao inequalities relation for Fisher information and the expectation values were also satisfied for the different eigenstates.
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