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

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

One-parameter extension of the Doi-Peliti formalism and relation with orthogonal polynomials

An extension of the Doi-Peliti formalism for stochastic chemical kinetics is proposed. Using the extension, path-integral expressions consistent with previous studies are obtained. In addition, the extended formalism is naturally connected to orthogonal polynomials. We show that two different orthogonal polynomials, i.e., Charlier polynomials and Hermite polynomials, can be used to express the Doi-Peliti formalism explicitly.Comment: 10 page

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

Topological quantum phase transition in the BEC-BCS crossover phenomena

A crossover between the Bose Einstein condensation (BEC) and BCS superconducting state is described topologically in the chiral symmetric fermion system with attractive interaction. Using a local Z_2 Berry phase, we found a quantum phase transition between the BEC and BCS phases without accompanying the bulk gap closing.Comment: 4 pages, 5 figure

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

Equilibration in long-range quantum spin systems from a BBGKY perspective

The time evolution of $\ell$-spin reduced density operators is studied for a class of Heisenberg-type quantum spin models with long-range interactions. In the framework of the quantum Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy, we introduce an unconventional representation, different from the usual cluster expansion, which casts the hierarchy into the form of a second-order recursion. This structure suggests a scaling of the expansion coefficients and the corresponding time scales in powers of $N^{1/2}$ with the system size $N$, implying a separation of time scales in the large system limit. For special parameter values and initial conditions, we can show analytically that closing the BBGKY hierarchy by neglecting $\ell$-spin correlations does never lead to equilibration, but gives rise to quasi-periodic time evolution with at most $\ell/2$ independent frequencies. Moreover, for the same special parameter values and in the large-$N$ limit, we solve the complete recursion relation (the full BBGKY hierarchy), observing a superexponential decay to equilibrium in rescaled time $\tau=tN^{-1/2}$.Comment: 3 figure

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

Phase Diagram for Anderson Disorder: beyond Single-Parameter Scaling

The Anderson model for independent electrons in a disordered potential is transformed analytically and exactly to a basis of random extended states leading to a variant of augmented space. In addition to the widely-accepted phase diagrams in all physical dimensions, a plethora of additional, weaker Anderson transitions are found, characterized by the long-distance behavior of states. Critical disorders are found for Anderson transitions at which the asymptotically dominant sector of augmented space changes for all states at the same disorder. At fixed disorder, critical energies are also found at which the localization properties of states are singular. Under the approximation of single-parameter scaling, this phase diagram reduces to the widely-accepted one in 1, 2 and 3 dimensions. In two dimensions, in addition to the Anderson transition at infinitesimal disorder, there is a transition between two localized states, characterized by a change in the nature of wave function decay.Comment: 51 pages including 4 figures, revised 30 November 200