Advances in delimiting the Hilbert-Schmidt separability probability of real two-qubit systems

We seek to derive the probability--expressed in terms of the Hilbert-Schmidt (Euclidean or flat) metric--that a generic (nine-dimensional) real two-qubit system is separable, by implementing the well-known Peres-Horodecki test on the partial transposes (PT's) of the associated 4 x 4 density matrices). But the full implementation of the test--requiring that the determinant of the PT be nonnegative for separability to hold--appears to be, at least presently, computationally intractable. So, we have previously implemented--using the auxiliary concept of a diagonal-entry-parameterized separability function (DESF)--the weaker implied test of nonnegativity of the six 2 x 2 principal minors of the PT. This yielded an exact upper bound on the separability probability of 1024/{135 pi^2} =0.76854$. Here, we piece together (reflection-symmetric) results obtained by requiring that each of the four 3 x 3 principal minors of the PT, in turn, be nonnegative, giving an improved/reduced upper bound of 22/35 = 0.628571. Then, we conclude that a still further improved upper bound of 1129/2100 = 0.537619 can be found by similarly piecing together the (reflection-symmetric) results of enforcing the simultaneous nonnegativity of certain pairs of the four 3 x 3 principal minors. In deriving our improved upper bounds, we rely repeatedly upon the use of certain integrals over cubes that arise. Finally, we apply an independence assumption to a pair of DESF's that comes close to reproducing our numerical estimate of the true separability function.Comment: 16 pages, 9 figures, a few inadvertent misstatements made near the end are correcte

Two-Qubit Separabilities as Piecewise Continuous Functions of Maximal Concurrence

The generic real (b=1) and complex (b=2) two-qubit states are 9-dimensional and 15-dimensional in nature, respectively. The total volumes of the spaces they occupy with respect to the Hilbert-Schmidt and Bures metrics are obtainable as special cases of formulas of Zyczkowski and Sommers. We claim that if one could determine certain metric-independent 3-dimensional "eigenvalue-parameterized separability functions" (EPSFs), then these formulas could be readily modified so as to yield the Hilbert-Schmidt and Bures volumes occupied by only the separable two-qubit states (and hence associated separability probabilities). Motivated by analogous earlier analyses of "diagonal-entry-parameterized separability functions", we further explore the possibility that such 3-dimensional EPSFs might, in turn, be expressible as univariate functions of some special relevant variable--which we hypothesize to be the maximal concurrence (0 < C <1) over spectral orbits. Extensive numerical results we obtain are rather closely supportive of this hypothesis. Both the real and complex estimated EPSFs exhibit clearly pronounced jumps of magnitude roughly 50% at C=1/2, as well as a number of additional matching discontinuities.Comment: 12 pages, 7 figures, new abstract, revised for J. Phys.

On Metric Dimension of Functigraphs

The \emph{metric dimension} of a graph $G$, denoted by $\dim(G)$, is the minimum number of vertices such that each vertex is uniquely determined by its distances to the chosen vertices. Let $G_1$ and $G_2$ be disjoint copies of a graph $G$ and let $f: V(G_1) \rightarrow V(G_2)$ be a function. Then a \emph{functigraph} $C(G, f)=(V, E)$ has the vertex set $V=V(G_1) \cup V(G_2)$ and the edge set $E=E(G_1) \cup E(G_2) \cup \{uv \mid v=f(u)\}$. We study how metric dimension behaves in passing from $G$ to $C(G,f)$ by first showing that $2 \le \dim(C(G, f)) \le 2n-3$, if $G$ is a connected graph of order $n \ge 3$ and $f$ is any function. We further investigate the metric dimension of functigraphs on complete graphs and on cycles.Comment: 10 pages, 7 figure

Effect of positron-atom interactions on the annihilation gamma spectra of molecules

Calculations of gamma spectra for positron annihilation on a selection of molecules, including methane and its fluoro-substitutes, ethane, propane, butane and benzene are presented. The annihilation gamma spectra characterise the momentum distribution of the electron-positron pair at the instant of annihilation. The contribution to the gamma spectra from individual molecular orbitals is obtained from electron momentum densities calculated using modern computational quantum chemistry density functional theory tools. The calculation, in its simplest form, effectively treats the low-energy (thermalised, room-temperature) positron as a plane wave and gives annihilation gamma spectra that are about 40% broader than experiment, although the main chemical trends are reproduced. We show that this effective "narrowing" of the experimental spectra is due to the action of the molecular potential on the positron, chiefly, due to the positron repulsion from the nuclei. It leads to a suppression of the contribution of small positron-nuclear separations where the electron momentum is large. To investigate the effect of the nuclear repulsion, as well as that of short-range electron-positron and positron-molecule correlations, a linear combination of atomic orbital description of the molecular orbitals is employed. It facilitates the incorporation of correction factors which can be calculated from atomic many-body theory and account for the repulsion and correlations. Their inclusion in the calculation gives gamma spectrum linewidths that are in much better agreement with experiment. Furthermore, it is shown that the effective distortion of the electron momentum density, when it is observed through positron annihilation gamma spectra, can be approximated by a relatively simple scaling factor.Comment: 26 pages, 12 figure

Interrelation of structural and electronic properties of InGaN/GaN quantum dots using an eight-band k.p model

We present an eight-band k.p model for the calculation of the electronic structure of wurtzite semiconductor quantum dots (QDs) and its application to indium gallium nitride (InGaN) QDs formed by composition fluctuations in InGaN layers. The eight-band k.p model accounts for strain effects, piezoelectric and pyroelectricity, spin-orbit and crystal field splitting. Exciton binding energies are calculated using the self-consistent Hartree method. Using this model, we studied the electronic properties of InGaN QDs and their dependence on structural properties, i.e., their chemical composition, height, and lateral diameter. We found a dominant influence of the built-in piezoelectric and pyroelectric fields, causing a spatial separation of the bound electron and hole states and a redshift of the exciton transition energies. The single-particle energies as well as the exciton energies depend heavily on the composition and geometry of the QDs

Tight-binding parameterization for photonic band gap materials

The ideas of the linear combination of atomic orbitals (LCAO) method, well known from the study of electrons, is extended to the classical wave case. The Mie resonances of the isolated scatterer in the classical wave case, are analogous to the localized eigenstates in the electronic case. The matrix elements of the two-dimensional tight-binding (TB) Hamiltonian are obtained by fitting to ab initio results. The transferability of the TB model is tested by reproducing accurately the band structure of different 2D lattices, with and without defects, thus proving that the obtained TB parameters can be used to study other properties of the photonic band gap materials.Comment: 4 pages, 3 postscript figures, sumbitted to Phys. rev. Let

Density Functional Theory for the Photoionization Dynamics of Uracil

Photoionization dynamics of the RNA base Uracil is studied in the framework of Density Functional Theory (DFT). The photoionization calculations take advantage of a newly developed parallel version of a multicentric approach to the calculation of the electronic continuum spectrum which uses a set of B-spline radial basis functions and a Kohn-Sham density functional hamiltonian. Both valence and core ionizations are considered. Scattering resonances in selected single-particle ionization channels are classified by the symmetry of the resonant state and the peak energy position in the photoelectron kinetic energy scale; the present results highlight once more the site specificity of core ionization processes. We further suggest that the resonant structures previously characterized in low-energy electron collision experiments are partly shifted below threshold by the photoionization processes. A critical evaluation of the theoretical results providing a guide for future experimental work on similar biosystems

The Discovery of Argon in Comet C/1995 O1 (Hale-Bopp)

On 30.14 March 1997 we observed the EUV spectrum of the bright comet C/1995 O1 (Hale-Bopp) at the time of its perihelion, using our EUVS sounding rocket telescope/spectrometer. The spectra reveal the presence H Ly beta, O+, and, most notably, Argon. Modelling of the retrieved Ar production rates indicates that comet Hale-Bopp is enriched in Ar relative to cosmogonic expectations. This in turn indicates that Hale-Bopp's deep interior has never been exposed to the 35-40 K temperatures necessary to deplete the comet's primordial argon supply.Comment: 9 pages, 2 figures. ApJ, 545, in press (2000

The ins and outs of participation in a weather information system

In this paper our aim is to show even though access to technology, information or data holds the potential for improved participation, participation is wired into a larger network of actors, artefacts and information practices. We draw on a case study of a weather information system developed and implemented by a non-profit organisation to both describe the configuration of participation, but also critically assess inclusion and exclusion. We present a set of four questions - a basic, practical toolkit - by which we together with the organisation made sense of and evaluated participation in the system

Networks of myelin covariance.

Networks of anatomical covariance have been widely used to study connectivity patterns in both normal and pathological brains based on the concurrent changes of morphometric measures (i.e., cortical thickness) between brain structures across subjects (Evans, ). However, the existence of networks of microstructural changes within brain tissue has been largely unexplored so far. In this article, we studied in vivo the concurrent myelination processes among brain anatomical structures that gathered together emerge to form nonrandom networks. We name these "networks of myelin covariance" (Myelin-Nets). The Myelin-Nets were built from quantitative Magnetization Transfer data-an in-vivo magnetic resonance imaging (MRI) marker of myelin content. The synchronicity of the variations in myelin content between anatomical regions was measured by computing the Pearson's correlation coefficient. We were especially interested in elucidating the effect of age on the topological organization of the Myelin-Nets. We therefore selected two age groups: Young-Age (20-31 years old) and Old-Age (60-71 years old) and a pool of participants from 48 to 87 years old for a Myelin-Nets aging trajectory study. We found that the topological organization of the Myelin-Nets is strongly shaped by aging processes. The global myelin correlation strength, between homologous regions and locally in different brain lobes, showed a significant dependence on age. Interestingly, we also showed that the aging process modulates the resilience of the Myelin-Nets to damage of principal network structures. In summary, this work sheds light on the organizational principles driving myelination and myelin degeneration in brain gray matter and how such patterns are modulated by aging