Structure Factor and Electronic Structure of Compressed Liquid Rubidium

We have applied the quantal hypernetted-chain equations in combination with the Rosenfeld bridge-functional to calculate the atomic and the electronic structure of compressed liquid-rubidium under high pressure (0.2, 2.5, 3.9, and 6.1 GPa); the calculated structure factors are in good agreement with experimental results measured by Tsuji et al. along the melting curve. We found that the Rb-pseudoatom remains under these high pressures almost unchanged with respect to the pseudoatom at room pressure; thus, the effective ion-ion interaction is practically the same for all pressure-values. We observe that all structure factors calculated for this pressure-variation coincide almost into a single curve if wavenumbers are scaled in units of the Wigner-Seitz radius $a$ although no corresponding scaling feature is observed in the effective ion-ion interaction.This scaling property of the structure factors signifies that the compression in liquid-rubidium is uniform with increasing pressure; in absolute Q-values this means that the first peak-position ($Q_1$) of the structure factor increases proportionally to $V^{-1/3}$ ($V$ being the specific volume per ion), as was experimentally observed by Tsuji et al.Comment: 18 pages, 11 figure

Nucleus-Electron Model for States Changing from a Liquid Metal to a Plasma and the Saha Equation

We extend the quantal hypernetted-chain (QHNC) method, which has been proved to yield accurate results for liquid metals, to treat a partially ionized plasma. In a plasma, the electrons change from a quantum to a classical fluid gradually with increasing temperature; the QHNC method applied to the electron gas is in fact able to provide the electron-electron correlation at arbitrary temperature. As an illustrating example of this approach, we investigate how liquid rubidium becomes a plasma by increasing the temperature from 0 to 30 eV at a fixed normal ion-density $1.03 \times 10^{22}/cm^3$. The electron-ion radial distribution function (RDF) in liquid Rb has distinct inner-core and outer-core parts. Even at a temperature of 1 eV, this clear distinction remains as a characteristic of a liquid metal. At a temperature of 3 eV, this distinction disappears, and rubidium becomes a plasma with the ionization 1.21. The temperature variations of bound levels in each ion and the average ionization are calculated in Rb plasmas at the same time. Using the density-functional theory, we also derive the Saha equation applicable even to a high-density plasma at low temperatures. The QHNC method provides a procedure to solve this Saha equation with ease by using a recursive formula; the charge population of differently ionized species are obtained in Rb plasmas at several temperatures. In this way, it is shown that, with the atomic number as the only input, the QHNC method produces the average ionization, the electron-ion and ion-ion RDF's, and the charge population which are consistent with the atomic structure of each ion for a partially ionized plasma.Comment: 28 pages(TeX) and 11 figures (PS

Meixner polynomials of the second kind and quantum algebras representing su(1,1)

We show how Viennot's combinatorial theory of orthogonal polynomials may be used to generalize some recent results of Sukumar and Hodges on the matrix entries in powers of certain operators in a representation of su(1,1). Our results link these calculations to finding the moments and inverse polynomial coefficients of certain Laguerre polynomials and Meixner polynomials of the second kind. As an immediate consequence of results by Koelink, Groenevelt and Van Der Jeugt, for the related operators, substitutions into essentially the same Laguerre polynomials and Meixner polynomials of the second kind may be used to express their eigenvectors. Our combinatorial approach explains and generalizes this "coincidence".Comment: several correction

Polynomial solutions of nonlinear integral equations

We analyze the polynomial solutions of a nonlinear integral equation, generalizing the work of C. Bender and E. Ben-Naim. We show that, in some cases, an orthogonal solution exists and we give its general form in terms of kernel polynomials.Comment: 10 page

Probing Ion-Ion and Electron-Ion Correlations in Liquid Metals within the Quantum Hypernetted Chain Approximation

We use the Quantum Hypernetted Chain Approximation (QHNC) to calculate the ion-ion and electron-ion correlations for liquid metallic Li, Be, Na, Mg, Al, K, Ca, and Ga. We discuss trends in electron-ion structure factors and radial distribution functions, and also calculate the free-atom and metallic-atom form-factors, focusing on how bonding effects affect the interpretation of X-ray scattering experiments, especially experimental measurements of the ion-ion structure factor in the liquid metallic phase.Comment: RevTeX, 19 pages, 7 figure

Computing the Hessenberg matrix associated with a self-similar measure

We introduce in this paper a method to calculate the Hessenberg matrix of a sum of measures from the Hessenberg matrices of the component measures. Our method extends the spectral techniques used by G. Mantica to calculate the Jacobi matrix associated with a sum of measures from the Jacobi matrices of each of the measures. We apply this method to approximate the Hessenberg matrix associated with a self-similar measure and compare it with the result obtained by a former method for self-similar measures which uses a fixed point theorem for moment matrices. Results are given for a series of classical examples of self-similar measures. Finally, we also apply the method introduced in this paper to some examples of sums of (not self-similar) measures obtaining the exact value of the sections of the Hessenberg matrix

Birth and death processes and quantum spin chains

This papers underscores the intimate connection between the quantum walks generated by certain spin chain Hamiltonians and classical birth and death processes. It is observed that transition amplitudes between single excitation states of the spin chains have an expression in terms of orthogonal polynomials which is analogous to the Karlin-McGregor representation formula of the transition probability functions for classes of birth and death processes. As an application, we present a characterization of spin systems for which the probability to return to the point of origin at some time is 1 or almost 1.Comment: 14 page

Cosine and Sine Operators Related with Orthogonal Polynomial Sets on the Intervall [-1,1]

The quantization of phase is still an open problem. In the approach of Susskind and Glogower so called cosine and sine operators play a fundamental role. Their eigenstates in the Fock representation are related with the Chebyshev polynomials of the second kind. Here we introduce more general cosine and sine operators whose eigenfunctions in the Fock basis are related in a similar way with arbitrary orthogonal polynomial sets on the intervall [-1,1]. To each polynomial set defined in terms of a weight function there corresponds a pair of cosine and sine operators. Depending on the symmetry of the weight function we distinguish generalized or extended operators. Their eigenstates are used to define cosine and sine representations and probability distributions. We consider also the inverse arccosine and arcsine operators and use their eigenstates to define cosine-phase and sine-phase distributions, respectively. Specific, numerical and graphical results are given for the classical orthogonal polynomials and for particular Fock and coherent states.Comment: 1 tex-file (24 pages), 11 figure

Escort mean values and the characterization of power-law-decaying probability densities

Escort mean values (or $q$-moments) constitute useful theoretical tools for describing basic features of some probability densities such as those which asymptotically decay like {\it power laws}. They naturally appear in the study of many complex dynamical systems, particularly those obeying nonextensive statistical mechanics, a current generalization of the Boltzmann-Gibbs theory. They recover standard mean values (or moments) for $q=1$. Here we discuss the characterization of a (non-negative) probability density by a suitable set of all its escort mean values together with the set of all associated normalizing quantities, provided that all of them converge. This opens the door to a natural extension of the well known characterization, for the $q=1$ instance, of a distribution in terms of the standard moments, provided that {\it all} of them have {\it finite} values. This question would be specially relevant in connection with probability densities having {\it divergent} values for all nonvanishing standard moments higher than a given one (e.g., probability densities asymptotically decaying as power-laws), for which the standard approach is not applicable. The Cauchy-Lorentz distribution, whose second and higher even order moments diverge, constitutes a simple illustration of the interest of this investigation. In this context, we also address some mathematical subtleties with the aim of clarifying some aspects of an interesting non-linear generalization of the Fourier Transform, namely, the so-called $q$-Fourier Transform.Comment: 20 pages (2 Appendices have been added

A "missing" family of classical orthogonal polynomials

We study a family of "classical" orthogonal polynomials which satisfy (apart from a 3-term recurrence relation) an eigenvalue problem with a differential operator of Dunkl-type. These polynomials can be obtained from the little $q$-Jacobi polynomials in the limit $q=-1$. We also show that these polynomials provide a nontrivial realization of the Askey-Wilson algebra for $q=-1$.Comment: 20 page