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International Journal of Quantum Chemistry

Parameter and q asymptotics of Lq‐norms of hypergeometric orthogonal polynomials

Nahual Sobrino, J. S. Dehesa

Published Sep 14, 2022• 2 citations
Publisher

Abstract

Abstract The three canonical families of the hypergeometric orthogonal polynomials in a continuous real variable (Hermite, Laguerre, and Jacobi) control the physical wavefunctions of the bound stationary states of a great number of quantum systems [Correction added after first online publication on 21 December, 2022. The sentence has been modified.]. The algebraic ‐norms of these polynomials describe many chemical, physical, and information theoretical properties of these systems, such as, for example, the kinetic and Weizsäcker energies, the position and momentum expectation values, the Rényi and Shannon entropies and the Cramér‐Rao, the Fisher‐Shannon and LMC measures of complexity. In this work, we examine review and solve theq‐asymptotics and the parameter asymptotics (i.e., when the weight function's parameter tends towards infinity) of the unweighted and weighted ‐norms for these orthogonal polynomials. This study has been motivated by the application of these algebraic norms to the energetic, entropic, and complexity‐like properties of the highly excited Rydberg and high‐dimensional pseudo‐classical states of harmonic (oscillator‐like) and Coulomb (hydrogenic) systems, and other quantum systems subject to central potentials of anharmonic type (such as, e.g., some molecular systems) [Correction added after first online publication on 21 December, 2022. Oscillatorlike has been changed to oscillator‐like.].

DOI
10.1002/qua.27013

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Abstract The three canonical families of the hypergeometric orthogonal polynomials in a continuous real variable (Hermite, Laguerre, and Jacobi) control the physical wavefunctions of the bound stationary states of a great number of quantum systems [Correction added after first online publication on 21 December, 2022. The sentence has been modified.]. The algebraic ‐norms of these polynomials describe many chemical, physical, and information theoretical properties of these systems, such as, for example, the kinetic and Weizsäcker energies, the position and momentum expectation values, the Rényi and Shannon entropies and the Cramér‐Rao, the Fisher‐Shannon and LMC measures of complexity. In this work, we examine review and solve theq‐asymptotics and the parameter asymptotics (i.e., when the weight function's parameter tends towards infinity) of the unweighted and weighted ‐norms for these orthogonal polynomials. This study has been motivated by the application of these algebraic norms to the energetic, entropic, and complexity‐like properties of the highly excited Rydberg and high‐dimensional pseudo‐classical states of harmonic (oscillator‐like) and Coulomb (hydrogenic) systems, and other quantum systems subject to central potentials of anharmonic type (such as, e.g., some molecular systems) [Correction added after first online publication on 21 December, 2022. Oscillatorlike has been changed to oscillator‐like.].
The various facets of the internal disorder of quantum systems can be described by means of the Rényi entropies of their single-particle probability density according to modern density functional theory and quantum information techniques. In this work, we first show the lower and upper bounds for the Rényi entropies of general and central-potential quantum systems, as well as the associated entropic uncertainty relations. Then, the Rényi entropies of multidimensional oscillator and hydrogenic-like systems are reviewed and explicitly determined for all bound stationary position and momentum states from first principles (i.e., in terms of the potential strength, the space dimensionality and the states's hyperquantum numbers). This is possible because the associated wavefunctions can be expressed by means of hypergeometric orthogonal polynomials. Emphasis is placed on the most extreme, non-trivial cases corresponding to the highly excited Rydberg states, where the Rényi entropies can be amazingly obtained in a simple, compact, and transparent form. Powerful asymptotic approaches of approximation theory have been used when the polynomial's degree or the weight-function parameter(s) of the Hermite, Laguerre, and Gegenbauer polynomials have large values. At present, these special states are being shown of increasing potential interest in quantum information and the associated quantum technologies, such as e.g., quantum key distribution, quantum computation, and quantum metrology.
Abstract There exists an increasing interest on the dimensionality dependence of the entropic properties for the stationary states of the multidimensional quantum systems in order to contribute to its emergent informational representation, which extends and complements the standard energetic representation. Nowadays, this is specially so for high‐dimensional systems as they have been recently shown to be very useful in both scientific and technological fields. In this work, the Shannon entropy of the discrete stationary states of the high‐dimensional harmonic (ie, oscillator‐like) and hydrogenic systems is analytically determined in terms of the dimensionality, the potential strength, and the state's hyperquantum numbers. We have used an information‐theoretic methodology based on the asymptotics of some entropy‐like integral functionals of the orthogonal polynomials and hyperspherical harmonics which control the wave functions of the quantum states, when the polynomial parameter is very large; this is basically because such a parameter is a linear function of the system's dimensionality. Finally, it is shown that the Shannon entropy of the D‐dimensional harmonic and hydrogenic systems has a logarithmic growth rate of the type D log D when D → ∞.
Abstract We study the shape LMC (López‐Ruiz, Mancini and Calvet), Fisher‐Shannon (FS) and Cramér‐Rao (CR) complexities of two families of orthogonal functions associated with the solutions of isospectral deformations of the Pöschl‐Teller and Harmonic oscillator potentials. We have compared the behavior of these complexities for the orthogonal functions with the complexities associated with Pöschl‐Teller and Harmonic oscillator potentials whose solutions are given in terms of the classical orthogonal polynomials. All these complexities are discussed in terms of the quantum number n and isospectrality parameter λ.
We introduce exactly solvable quantum parametric oscillators, which are generalizations of the quantum problems related with the classical orthogonal polynomials of Hermite, Laguerre, and Jacobi type, introduced in the work of Büyükaşık et al. [J. Math. Phys. 50, 072102 (2009)]. Quantization of these models with specific damping, frequency, and external forces is obtained using the Wei-Norman Lie algebraic approach. This determines the evolution operator exactly in terms of two linearly independent homogeneous solutions and a particular solution of the corresponding classical equation of motion. Then, time-evolution of wave functions and coherent states are found explicitly. Probability densities, expectation values, and uncertainty relations are evaluated and their properties are investigated under the influence of the external terms.
This book gathers state-of-the-art advances on harmonic oscillators including their types, functions, and applications. In Chapter 1, Neetik and Amlan have discussed the recent progresses of information theoretic tools in the context of free and confined harmonic oscillator. Confined quantum systems have provided appreciable interest in areas of physics, chemistry, biology, etc., since its inception. A particle under extreme pressure environment unfolds many fascinating, notable physical and chemical changes. \n \nThe desired effect is achieved by reducing the spatial boundary from infinity to a finite region. Similarly, in the last decade, information measures were investigated extensively in diverse quantum problems, in both free and constrained situations. The most prominent amongst these are: Fisher information, Shannon entropy, Renyi entropy, Tsallis entropy, Onicescu energy and several complexities. Arguably, these are the most effective measures of uncertainty, as they do not make any reference to some specific points of a respective Hilbert space. These have been invoked to explain several physic-chemical properties of a system under investigation. Kullback Leibler divergence or relative entropy describes how a given probability distribution shifts from a reference distribution function. This characterizes a measure of discrimination between two states. In other words, it extracts the change of information in going from one state to another. \n \nIn Chapter 2, Nabakumar, Subhasree, and Paulami have revisited classical-quantum correspondence in the context of linear Simple Harmonic Oscillator (SHO). According to Bohr’s correspondence principle, quantum mechanically calculated results match with the classically expected results when quantum number is very high. Classical quantum correspondence may also be visualized in the limit when the action integral is much greater than Planck’s constant. When de-Broglie wave length associated with a particle is much larger than system size, then quantum mechanical results also match with the classical results. In the context of dynamics, Ehrenfest equation of motion is used in quantum domain, which is analogous to classical Newton’s equation of motion. SHO is one of the most important systems for several reasons. It is one of the few exactly solvable problems. Any stable molecular potential can be approximated by SHO near the equilibrium point. This builds the foundation for the understanding of complex modes of vibration in large molecules, the motion of atoms in a solid lattice, the theory of heat capacity, vibration motion of nuclei in molecule etc. The authors have revisited the common solution techniques and important properties of both classical and quantum linear SHO. Then they focused on probability distribution, quantum mechanical tunneling, classical and quantum dynamics of position, momentum and their actuations, viral theorems, etc. and also analyzed how quantum mechanical results finally tend to classical results in the high quantum number limit. \n \nIn Chapter 3, Neeraj has discussed the nature of atomic motions, sometimes referred to as lattice vibrations. The lattice dynamics deals with the vibrations of the atoms inside the crystals. In order to write the dynamic equations of the motion of crystal atoms, we need to describe an inter-atomic interaction. Therefore, it is natural to start the study of the lattice dynamics with the case of small harmonic vibrations. The dynamics of one-dimensional and two-dimensional vibrations of monatomic and diatomic crystals can be understood by using the simple model forces based on harmonic approximation. This harmonic approximation is related to a simple ball-spring model. According to this model, each atom is coupled with the neighboring atoms by spring constants. The collective motion of atoms leads to a distinct traveling wave over the whole crystal, leading to the collective motion, so-called phonon. The simple ball-spring model enlightens us some of the significant common features of lattice dynamics that have been discussed throughout this chapter. Further, this chapter helps in understanding the quantization energy of a harmonic oscillation and the concept of phonon.
The radial expectation values of the probability density of a quantum system in position and momentum spaces allow one to describe numerous physical quantities of the system as well as to find generalized Heisenberg-like uncertainty relations and to bound entropic uncertainty measures. It is known that the position and momentum expectation values of the main prototype of the D-dimensional Coulomb systems, the D-dimensional hydrogenic system, can be expressed in terms of some generalized hypergeometric functions of the type p+1Fp(z) evaluated at unity with p = 2 and p = 3, respectively. In this work we determine the position and momentum expectation values in the limit of large D for all hydrogenic states from ground to very excited (Rydberg) ones in terms of the spatial dimensionality and the hyperquantum numbers of the state under consideration. This is done by means of two different approaches to calculate the leading term of the special functions 3F21 and 5F41 involved in the large D limit of the position and momentum quantities. Then, these quantities are used to obtain the generalized Heisenberg-like and logarithmic uncertainty relations, and some upper and lower bounds to the entropic uncertainty measures (Shannon, Rényi, Tsallis) of the D-dimensional hydrogenic system.