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Journal of Physics Communications

Relative Fisher information for Morse potential and isotropic quantum oscillators

Takuya Yamano

Published Jun 19, 2018• 14 citations
Publisher

Abstract

The relative Fisher information associated with quantum-mechanical states for two prototypical models is presented; the radial density functions that characterize the Morse oscillator and the d-dimensional isotropic quantum oscillators are analyzed in terms of this relative information by specifying the ground state as the reference. We find that the information increases as the eigenvalue (i.e., the degree of the associated Laguerre polynomials) increases for the Morse density function, but for the isotropic quantum harmonic models, it decreases with the dimension and increases almost linearly with the increasing quantum numbers. We present also the explicit expression for the information associated with the angular density as a function of the orbital quantum number and the magnetic quantum number for the three-dimensional isotropic quantum oscillator.

DOI
10.1088/2399-6528/aacd8f

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The relative Fisher information associated with quantum-mechanical states for two prototypical models is presented; the radial density functions that characterize the Morse oscillator and the d-dimensional isotropic quantum oscillators are analyzed in terms of this relative information by specifying the ground state as the reference. We find that the information increases as the eigenvalue (i.e., the degree of the associated Laguerre polynomials) increases for the Morse density function, but for the isotropic quantum harmonic models, it decreases with the dimension and increases almost linearly with the increasing quantum numbers. We present also the explicit expression for the information associated with the angular density as a function of the orbital quantum number and the magnetic quantum number for the three-dimensional isotropic quantum oscillator.
An electron in a constant magnetic field has the energy levels known as the Landau levels. One can obtain the corresponding radial wave function in cylindrical polar coordinates (e.g., textbook of Landau & Lifshitz). This system is not explored so far in terms of information-theoretical point of view. We here focus on Fisher information associated with these Landau states specified by the two quantum numbers. Fisher information provides a useful measure of the electronic structure in quantum systems such as hydrogen-like atoms [1,2] and molecules under Morse potentials [3]. We numerically evaluate the generalized Laguerre polynomials contained in the radial wave functions. We report that Fisher information increases linearly with the quantum number n that specifies energy levels, but decreases monotonically with the quantum number m (i.e., the index of the generalized Laguerre polynomial). Also, we present relative Fisher information of the Landau states by setting the lowest Landau state as a reference density. The analytical form is just 4n, which does not depend on the other quantum number m. References: 1. T. Yamano, Relative Fisher information of hydrogen-like atoms, Chem. Phys. Lett. 691 (2018) 1962. T. Yamano, Fisher information of radial wavefunctions for relativistic hydrogenic atoms, Chem. Phys. Lett. 731 (2019) 1366183. T. Yamano, Relative Fisher information for Morse potential and isotropic quantum oscillators, J. Phys. Commun. 2 (2018) 085018
An electron in a constant magnetic field has energy levels, known as the Landau levels. One can obtain the corresponding radial wavefunction of free-electron Landau states in cylindrical polar coordinates. However, this system has not been explored so far in terms of an information-theoretical viewpoint. Here, we focus on Fisher information associated with these Landau states specified by the two quantum numbers. Fisher information provides a useful measure of the electronic structure in quantum systems, such as hydrogen-like atoms and under some potentials. By numerically evaluating the generalized Laguerre polynomials in the radial densities, we report that Fisher information increases linearly with the principal quantum number that specifies energy levels, but decreases monotonically with the azimuthal quantum number m. We also present relative Fisher information of the Landau states against the reference density with m=0, which is proportional to the principal quantum number. We compare it with the case when the lowest Landau level state is set as the reference.
We investigate the quantum-information properties of a particle confined by the double Morse potential in position and momentum spaces. The quasi-exact solvability of the model gives analytical expressions for the first two bound states, allowing the corresponding probability densities to be analyzed directly. Shannon entropy, Onicescu energy, Fisher information, statistical complexity, and Fisher-Shannon products are evaluated as functions of the parameter AAA, which controls the transition from a well-separated double well to a merged single-well profile. The position distribution is more delocalized and structurally complex when the double-well character is pronounced, whereas the momentum distribution exhibits the complementary trend. As the wells merge, the ground-state Fisher--Shannon product approaches its Gaussian reference value, whereas the excited state retains stronger non-Gaussian structure.
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.
The position- and momentum-space entropies of the isotropic harmonic oscillator and the hydrogen atom in D dimensions are shown to be related to some entropy integrals which involve classical orthogonal polynomials. These integrals are exactly calculated for Chebyshev polynomials and only in an approximate way for Gegenbauer polynomials. The physical entropies are explicitly obtained in the ground state and in a few low-lying excited states. Finally, the dimensionality dependence of the ground-state entropies of the two above-mentioned quantum-mechanical systems is analyzed (numerically) and the values of the entropies in a large class of excited states of the D-dimensional (D=1,2,3) harmonic oscillator and hydrogen atom are tabulated and discussed.