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Journal of Physics A Mathematical and Theoretical

The Fisher-information-based uncertainty relation, Cramer–Rao inequality and kinetic energy for the D -dimensional central problem

J. S. Dehesa, Rosario González‐Férez, Pablo Sánchez-Moreno

Published Feb 6, 2007• 88 citations
Publisher

Abstract

The inequality , with L being the grand orbital quantum number, and its conjugate relation for (⟨ r 2 ⟩, ⟨ p −2 ⟩) are shown to be fulfilled in the D -dimensional central problem. Their use has allowed us to improve the Fisher-information-based uncertainty relation ( I ρ I γ ⩾ const) and the Cramer–Rao inequalities (⟨ r 2 ⟩ I ρ ⩾ D 2 ; ⟨ p 2 ⟩ I γ ⩾ D 2 ). In addition, the kinetic energy and the radial expectation value ⟨ r 2 ⟩ are shown to be bounded from below by the Fisher information in position and momentum spaces, denoted by I ρ and I γ , respectively.

DOI
10.1088/1751-8113/40/8/011

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The inequality , with L being the grand orbital quantum number, and its conjugate relation for (⟨ r 2 ⟩, ⟨ p −2 ⟩) are shown to be fulfilled in the D -dimensional central problem. Their use has allowed us to improve the Fisher-information-based uncertainty relation ( I ρ I γ ⩾ const) and the Cramer–Rao inequalities (⟨ r 2 ⟩ I ρ ⩾ D 2 ; ⟨ p 2 ⟩ I γ ⩾ D 2 ). In addition, the kinetic energy and the radial expectation value ⟨ r 2 ⟩ are shown to be bounded from below by the Fisher information in position and momentum spaces, denoted by I ρ and I γ , respectively.
By interpolating between Fisher information and mechanical kinetic energy, we introduce a general notion of kinetic energy with respect to a parameter of Schrödinger wavefunctions from a statistical inference perspective. Kinetic energy is the sum of Fisher information and an integral of a parametrized analogue of quantum mechanical current density related to phase. A family of integral inequalities concerning kinetic energy and moments are established, among which the Cramér–Rao inequality and the Weyl–Heisenberg inequality, are special cases. In particular, the integral inequalities involving the negative order moments are relevant to the study of electron systems. Moreover, by specifying the parameter to a scale, we obtain a family of inequalities of uncertainty relation type which incorporate the position and momentum observables symmetrically in a single quantity.
Rigorous and universal bounds on frequency moments of one-particle densities in terms of radial expectation values in the conjugate space are obtained. The results, valid for any d-dimensional quantum-mechanical system, are derived by using Rényi-like position-momentum inequalities in an information-theoretical framework. Especially interesting are the upper bounds on the Dirac exchange and Thomas-Fermi kinetic energies, as well as the disequilibrium or self-similarity of both position and momentum distributions. A variety of bounds for these functionals in a given space are known, but most usually in terms of quantities defined within the same space. Very few results including a density functional on one space, and expectation values on the conjugate one, are found in the literature. A pioneering bound on the disequilibrium in terms of the kinetic energy is improved in this work. A numerical study of the aforementioned relationships is carried out for atomic systems in their ground state. Some results are given in terms of relevant physical quantities, including the kinetic and electron-nucleus attraction energies, the diamagnetic susceptibility and the height of the peak of the Compton profile, among others.
The Fisher information functional occupies a very special position among the uncertainty measures of quantum systems of any dimensionality. In contrast with (global) entropic measures of Shannon, Renyi or Tsallis types, it contitutes a local measure in the sense that it is sensitive to the oscillatory character of the probability density distribution. Moreover, the Fisher information is closely related to various macroscopic properties of the system described by different density functionals. Here, we review its main analytical properties such as, inequality-based relationships with some radial expectation values and its uncertainty relation. Tighter versions of these inequalities are shown for those systems subject to an arbitrary central potential. Moreover, the Fisher information is computed for D-dimensional hydrogenic systems explicitly in terms of the radial and angular hyperquantum numbers characterizing the quantum states of the system in both position and momentum spaces. Finally, the utility of this quantity is discussed for various physico-chemical processes of recent interest: Abstraction and nucleophilic substitution reactions.
An uncertainty Fisher information relation in quantum mechanics is derived for multidimensional single-particle systems with central potentials. It is based on the concept of Fisher information in the two complementary position and momentum spaces, which is a gradient functional of the corresponding probability distributions. The lower bound of the product of position and momentum Fisher informations is shown to depend on the orbital and magnetic quantum numbers of the physical state and the space dimensionality. Applications to various elementary systems is discussed.
Abstract With special attention to the role of information theory in physical sciences we present analytical results for the coordinate- and momentum-space Fisher information of some important one-dimensional quantum systems which differ in spacing of their energy levels. The studies envisaged allow us to relate the coordinate-space information ( I ρ ) with the familiar energy levels of the quantum system. The corresponding momentum-space information ( I γ ) does not obey such a simple relationship with the energy spectrum. Our results for the product ( I ρ I γ ) depend quadratically on the principal quantum number n and satisfy an appropriate uncertainty relation derived by Dehesa et al (2007 J. Phys. A: Math. Theor. 40 1845 )
The purpose of this article is to calculate the numerical values of the Shannon (S) and Fisher (I) information entropies along with their Shannon power (J) and Fisher-Shannon product (P) for a free particle in three dimensions. In both coordinate and momentum space, the numerical values have been calculated for various values of the cubical box's length (L). Further, the validity of the entropic uncertainty relations such as the Bialynicki-Birula and Myceilski (BBM) inequality relation, Stam-Cramer-Rao inequalities (better known as the Fisher based uncertainty relation) and the Fisher-Shannon product relation have been investigated. The Fisher-Shannon product has been introduced and analyzed, which can be considered as a new correlation measure. The article is basically based on the concept, measurements and on the behaviour of the Shannon entropy, Fisher information entropy, Shannon power and the Fisher-Shannon product. Here, the plane wave solution of the free particle in three dimensions is considered and the wave function is normalized in an arbitrarily large but finite cube. The Fourier transforms of the coordinate space wave function provided the momentum space wave function. The probability densities corresponding to the respective wave functions have been employed to compute the numerical values of the information theoretic quantities such as Shannon entropy, Fisher entropy, Shannon power and the Fisher-Shannon product both in the coordinate and momentum space and the computed values have been presented in the respective tables. Finally, the entropic uncertainty relations investigated have been found consistently satisfying the corresponding inequalities such as Bialynicki-Birula and Mycielski (BBM) inequality, the Stam-Cramer-Rao inequalities and the Fisher-Shannon product relation. The study establishes the validity of the entropic uncertainty relations for the motion of a free particle in three dimensions.