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Entropy

Rényi Entropies of Multidimensional Oscillator and Hydrogenic Systems with Applications to Highly Excited Rydberg States

J. S. Dehesa

Published Nov 2, 2022• 4 citations
Publisher

Abstract

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.

DOI
10.3390/e24111590

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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 Rydberg atoms and excitons are composed so that they have a hydrogenic energy level structure governed by the Rydberg formula. They are relevant per se and for their numerous applications, e.g. facilitating the creation of novel quantum devices in quantum technologies which are inherently robust, miniature, and scalable (basically because they exist in solid-state platforms) and the realization of synthetic dimensions in numerous quantum-mechanical systems, giving rise to quantum matter which can behave as if it were in dimensions other than three. However the quantification of their internal disorder is scarcely known. Here we show and review the knowledge of dispersion, entanglement, physical entropies (Rényi, Shannon) and complexity-like measures of D-dimensional Rydberg systems with D ⩾ 2 in both position and momentum spaces. These uncertainty quantifiers are expressed in terms of D, the potential strength and the hyperquantum numbers of the Rydberg states. This has been possible because of the fine asymptotics of algebraic functionals the Laguerre and Gegenbauer polynomials which, together with the hyperspherical harmonics, control the Rydberg wavefunctions.
The internal disorder of hydrogenic Rydberg atoms as contained in their position and momentum probability densities is examined by means of the following information-theoretic spreading quantities: the radial and logarithmic expectation values, the Shannon entropy, and the Fisher information. As well, the complexity measures of Crámer-Rao, Fisher-Shannon, and López Ruiz-Mancini-Calvet types are investigated in both reciprocal spaces. The leading term of these quantities is rigorously calculated by use of the asymptotic properties of the concomitant entropic functionals of the Laguerre and Gegenbauer orthogonal polynomials which control the wavefunctions of the Rydberg states in both position and momentum spaces. The associated generalized Heisenberg-like, logarithmic and entropic uncertainty relations are also given. Finally, application to linear (l = 0), circular (l = n − 1), and quasicircular (l = n − 2) states is explicitly done.
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.
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.].
Abstract The position and momentum probability densities of a multidimensional quantum system are fully characterized by means of the radial expectation values ⟨ r α ⟩ and p α , respectively. These quantities, which describe and/or are closely related to various fundamental properties of realistic systems, have not been calculated in an analytical and effective manner up until now except for a number of three-dimensional hydrogenic states. In this work we explicitly show these expectation values for all discrete stationary D -dimensional hydrogenic states in terms of the dimensionality D , the strength of the Coulomb potential (i.e. the nuclear charge) and the D state’s hyperquantum numbers. Emphasis is placed on the momentum expectation values (mostly unknown, specially the ones with odd order) which are obtained in a closed compact form. Applications are made to circular, S -wave, high-energy (Rydberg) and high-dimensional (pseudo-classical) states of three- and multidimensional hydrogenic atoms. This has been possible because of the analytical algebraic and asymptotical properties of the special functions (orthogonal polynomials, hyperspherical harmonics) which control the states’ wavefunctions. Finally, some Heisenberg-like uncertainty inequalities satisfied by these dispersion quantities are also given and discussed.
The entropic moments of the probability density of a quantum system in position and momentum spaces describe not only some fundamental and/or experimentally accessible quantities of the system but also the entropic uncertainty measures of Rényi type, which allow one to find the most relevant mathematical formalizations of the position-momentum Heisenberg’s uncertainty principle, the entropic uncertainty relations. It is known that the solution of difficult three-dimensional problems can be very well approximated by a series development in 1/D in similar systems with a non-standard dimensionality D; moreover, several physical quantities of numerous atomic and molecular systems have been numerically shown to have values in the large-D limit comparable to the corresponding ones provided by the three-dimensional numerical self-consistent field methods. The D-dimensional hydrogenic atom is the main prototype of the physics of multidimensional many-electron systems. In this work, we rigorously determine the leading term of the Rényi entropies of the D-dimensional hydrogenic atom at the limit of large D. As a byproduct, we show that our results saturate the known position-momentum Rényi-entropy-based uncertainty relations.