835 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
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
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
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
A connection between orthogonal polynomials on the unit circle and matrix orthogonal polynomials on the real line
Szego's procedure to connect orthogonal polynomials on the unit circle and
orthogonal polynomials on [-1,1] is generalized to nonsymmetric measures. It
generates the so-called semi-orthogonal functions on the linear space of
Laurent polynomials L, and leads to a new orthogonality structure in the module
LxL. This structure can be interpreted in terms of a 2x2 matrix measure on
[-1,1], and semi-orthogonal functions provide the corresponding sequence of
orthogonal matrix polynomials. This gives a connection between orthogonal
polynomials on the unit circle and certain classes of matrix orthogonal
polynomials on [-1,1]. As an application, the strong asymptotics of these
matrix orthogonal polynomials is derived, obtaining an explicit expression for
the corresponding Szego's matrix function.Comment: 28 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
Exact limiting relation between the structure factors in neutron and x-ray scattering
The ratio of the static matter structure factor measured in experiments on
coherent X-ray scattering to the static structure factor measured in
experiments on neutron scattering is considered. It is shown theoretically that
this ratio in the long-wavelength limit is equal to the nucleus charge at
arbitrary thermodynamic parameters of a pure substance (the system of nuclei
and electrons, where interaction between particles is pure Coulomb) in a
disordered equilibrium state. This result is the exact relation of the quantum
statistical mechanics. The experimental verification of this relation can be
done in the long wavelength X-ray and neutron experiments.Comment: 7 pages, no figure
Criterion for polynomial solutions to a class of linear differential equation of second order
We consider the differential equations y''=\lambda_0(x)y'+s_0(x)y, where
\lambda_0(x), s_0(x) are C^{\infty}-functions. We prove (i) if the differential
equation, has a polynomial solution of degree n >0, then \delta_n=\lambda_n
s_{n-1}-\lambda_{n-1}s_n=0, where \lambda_{n}=
\lambda_{n-1}^\prime+s_{n-1}+\lambda_0\lambda_{n-1}\hbox{and}\quad
s_{n}=s_{n-1}^\prime+s_0\lambda_{k-1},\quad n=1,2,.... Conversely (ii) if
\lambda_n\lambda_{n-1}\ne 0 and \delta_n=0, then the differential equation has
a polynomial solution of degree at most n. We show that the classical
differential equations of Laguerre, Hermite, Legendre, Jacobi, Chebyshev (first
and second kind), Gegenbauer, and the Hypergeometric type, etc, obey this
criterion. Further, we find the polynomial solutions for the generalized
Hermite, Laguerre, Legendre and Chebyshev differential equations.Comment: 12 page
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