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arXiv:1305.1149 · Journal of Mathematical Physics

Entropy and complexity analysis of hydrogenic Rydberg atoms

Sheila López‐Rosa, I. V. Toranzo, Pablo Sánchez-Moreno, J. S. Dehesa

Published May 1, 2013• 21 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1063/1.4807095

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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.
In a recent paper [S. López-Rosa et al., J. Math. Phys. 54, 052109 (2013)], the authors made detailed investigations on the information-theoretic quantities for hydrogenic atoms in Rydberg states. Asymptotic forms of different types of complexity measures (Crámer-Rao, Fisher-Shannon, and LMC types) in both position and momentum spaces were obtained for hydrogenic states (n,l,m) with fixed l and increasingly large n. However, the expressions for the Crámer-Rao complexity are incorrect due to the wrong definition of variance. The correct form of this complexity in position space is presented exactly in this work. In momentum space, two different definitions of variance are provided and corresponding Crámer-Rao complexities are discussed separately. In either case, the momentum complexity increases much faster than that in position space when increasing principal quantum number n.
The analytic information theory of quantum systems includes the exact determination of their spatial extension or multidimensional spreading in both position and momentum spaces by means of the familiar variance and its generalization, the power and logarithmic moments, and, more appropriately, the Shannon entropy and the Fisher information. These complementary uncertainty measures have a global or local character, respectively, because they are power-like (variance, moments), logarithmic (Shannon) and gradient (Fisher) functionals of the corresponding probability distribution. Here we explicitly discuss all these spreading measures (and their associated uncertainty relations) in both position and momentum for the main prototype in D-dimensional physics, the hydrogenic system, directly in terms of the dimensionality and the hyperquantum numbers which characterize the involved states. Then, we analyze in detail such measures for s-states, circular states (i.e., single-electron states of highest angular momenta allowed within an electronic manifold characterized by a given principal hyperquantum number), and Rydberg states (i.e., states with large radial hyperquantum numbers n). © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
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 a D-dimensional hydrogenic system, which is strongly associated to the non-uniformity of the quantum-mechanical density of its physical states, is investigated by means of the shape complexity in the two reciprocal spaces. This quantity, which is the product of the disequilibrium and the Shannon entropic power, is mathematically expressed for both ground and excited stationary states in terms of certain entropic functionals of Laguerre and Gegenbauer (or ultraspherical) polynomials. Emphasis is made in the ground and circular states.
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.