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

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

Pressure formulas for liquid metals and plasmas based on the density-functional theory

At first, pressure formulas for the electrons under the external potential produced by fixed nuclei are derived both in the surface integral and volume integral forms concerning an arbitrary volume chosen in the system; the surface integral form is described by a pressure tensor consisting of a sum of the kinetic and exchange-correlation parts in the density-functional theory, and the volume integral form represents the virial theorem with subtraction of the nuclear virial. Secondly on the basis of these formulas, the thermodynamical pressure of liquid metals and plasmas is represented in the forms of the surface integral and the volume integral including the nuclear contribution. From these results, we obtain a virial pressure formula for liquid metals, which is more accurate and simpler than the standard representation. From the view point of our formulation, some comments are made on pressure formulas derived previously and on a definition of pressure widely used.Comment: 18 pages, no figur

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

How to construct spin chains with perfect state transfer

It is shown how to systematically construct the $XX$ quantum spin chains with nearest-neighbor interactions that allow perfect state transfer (PST). Sets of orthogonal polynomials (OPs) are in correspondence with such systems. The key observation is that for any admissible one-excitation energy spectrum, the weight function of the associated OPs is uniquely prescribed. This entails the complete characterization of these PST models with the mirror symmetry property arising as a corollary. A simple and efficient algorithm to obtain the corresponding Hamiltonians is presented. A new model connected to a special case of the symmetric $q$-Racah polynomials is offered. It is also explained how additional models with PST can be derived from a parent system by removing energy levels from the one-excitation spectrum of the latter. This is achieved through Christoffel transformations and is also completely constructive in regards to the Hamiltonians.Comment: 7 page

Operator ordering in Two-dimensional N=1 supersymmetry with curved manifold

We investigate an operator ordering problem in two-dimensional N=1 supersymmetric model which consists of n real superfields. There arises an operator ordering problem when the target space is curved. We have to fix the ordering in quantum operator properly to obtain the correct supersymmetry algebra. We demonstrate that the super-Poincar\'{e} algebra fixes the correct operator ordering. We obtain a supercurrent with correct operator ordering and a central extension of supersymmetry algebra.Comment: 7 page

Wigner quantization of some one-dimensional Hamiltonians

Recently, several papers have been dedicated to the Wigner quantization of different Hamiltonians. In these examples, many interesting mathematical and physical properties have been shown. Among those we have the ubiquitous relation with Lie superalgebras and their representations. In this paper, we study two one-dimensional Hamiltonians for which the Wigner quantization is related with the orthosymplectic Lie superalgebra osp(1|2). One of them, the Hamiltonian H = xp, is popular due to its connection with the Riemann zeros, discovered by Berry and Keating on the one hand and Connes on the other. The Hamiltonian of the free particle, H_f = p^2/2, is the second Hamiltonian we will examine. Wigner quantization introduces an extra representation parameter for both of these Hamiltonians. Canonical quantization is recovered by restricting to a specific representation of the Lie superalgebra osp(1|2)

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

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

The rotating Morse potential model for diatomic molecules in the tridiagonal J-matrix representation: I. Bound states

This is the first in a series of articles in which we study the rotating Morse potential model for diatomic molecules in the tridiagonal J-matrix representation. Here, we compute the bound states energy spectrum by diagonalizing the finite dimensional Hamiltonian matrix of H2, LiH, HCl and CO molecules for arbitrary angular momentum. The calculation was performed using the J-matrix basis that supports a tridiagonal matrix representation for the reference Hamiltonian. Our results for these diatomic molecules have been compared with available numerical data satisfactorily. The proposed method is handy, very efficient, and it enhances accuracy by combining analytic power with a convergent and stable numerical technique.Comment: 18 Pages, 6 Tables, 4 Figure