998 research outputs found
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 . 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 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 ()
of the structure factor increases proportionally to ( being the
specific volume per ion), as was experimentally observed by Tsuji et al.Comment: 18 pages, 11 figure
Combining quantum and classical density functional theory for ion-electron mixtures
We combine techniques from quantum and from classical density functional
theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we
show how to calculate ion-ion and ion-electron correlation functions within
Chihara's quantum hypernetted chain approximation, which we derive within a DFT
formulation. We also sketch out how to apply the DFT formulation to
inhomogeneous electron-ion mixtures, and use this to study the electron
distribution at the liquid-solid interface of Al.Comment: to be published in J. Non-Cryst. Solids, LAM 11 special issu
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
Nonsymmetric Askey-Wilson polynomials as vector-valued polynomials
Nonsymmetric Askey-Wilson polynomials are usually written as Laurent
polynomials. We write them equivalently as 2-vector-valued symmetric Laurent
polynomials. Then the Dunkl-Cherednik operator of which they are
eigenfunctions, is represented as a 2x2 matrix-valued operator. As a new result
made possible by this approach we obtain positive definiteness of the inner
product in the orthogonality relations, under certain constraints on the
parameters. A limit transition to nonsymmetric little q-Jacobi polynomials also
becomes possible in this way. Nonsymmetric Jacobi polynomials are considered as
limits both of the Askey-Wilson and of the little q-Jacobi case.Comment: 16 pages. Dedicated to Paul Butzer on the occasion of his 80th
birthday. v4: minor correction in (4.14
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
Generalizations of an integral for Legendre polynomials by Persson and Strang
Persson and Strang (2003) evaluated the integral over [-1,1] of a squared odd
degree Legendre polynomial divided by x^2 as being equal to 2. We consider a
similar integral for orthogonal polynomials with respect to a general even
orthogonality measure, with Gegenbauer and Hermite polynomials as explicit
special cases. Next, after a quadratic transformation, we are led to the
general nonsymmetric case, with Jacobi and Laguerre polynomials as explicit
special cases. Examples of indefinite summation also occur in this context. The
paper concludes with a generalization of the earlier results for Hahn
polynomials. There some adaptations have to be made in order to arrive at
relatively nice explicit evaluations.Comment: 14 pages; minor corrections and reference added; J. Math. Anal. Appl.
(2011
How to construct spin chains with perfect state transfer
It is shown how to systematically construct the 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 -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
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
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
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