The correlation potential in density functional theory at the GW-level: spherical atoms

As part of a project to obtain better optical response functions for nano materials and other systems with strong excitonic effects we here calculate the exchange-correlation (XC) potential of density-functional theory (DFT) at a level of approximation which corresponds to the dynamically- screened-exchange or GW approximation. In this process we have designed a new numerical method based on cubic splines which appears to be superior to other techniques previously applied to the "inverse engineering problem" of DFT, i.e., the problem of finding an XC potential from a known particle density. The potentials we obtain do not suffer from unphysical ripple and have, to within a reasonable accuracy, the correct asymptotic tails outside localized systems. The XC potential is an important ingredient in finding the particle-conserving excitation energies in atoms and molecules and our potentials perform better in this regard as compared to the LDA potential, potentials from GGA:s, and a DFT potential based on MP2 theory.Comment: 13 pages, 9 figure

Increases in salience of ethnic identity at work: the roles of ethnic assignation and ethnic identification

To better understand how ethnicity is actually experienced within organisations, we examined reported increases in ethnic identity salience at work and responses to such increases. Thirty British black Caribbean graduate employees were interviewed about how and when they experienced their ethnic identity at work. The findings demonstrated that increased salience in ethnic identity was experienced in two key ways: through ‘ethnic assignation’ (a ‘push’ towards ethnic identity) and ‘ethnic identification’ (a ‘pull’ towards ethnic identity). We explore how and when ethnic assignation and ethnic identification occur at work, and their relevance to how workplaces are experienced by this group of minority ethnic employees. The findings suggest the need for further research attention to the dynamic and episodic nature of social identity, including ethnic identity, within organisations, and to the impact of such increases in salience of social identities on behaviour at work

Electronic properties of disordered corner-sharing tetrahedral lattices

We have examined the behaviour of noninteracting electrons moving on a corner-sharing tetrahedral lattice into which we introduce a uniform (box) distribution, of width W, of random on-site energies. We have used both the relative localization length and the spectral rigidity to analyze the nature of the eigenstates, and have determined both the mobility edge trajectories as a function of W, and the critical disorder, Wc, beyond which all states are localized. We find (i) that the mobility edge trajectories (energies Ec vs. disorder W) are qualitatively different from those found for a simple cubic lattice, and (ii) that the spectral rigidity is scale invariant at Wc and thus provides a reliable method of estimating this quantity -- we find Wc/t=14.5. We discuss our results in the context of the metal-to-insulator transition undergone by LiAlyTi{2-y}O4 in a quantum site percolation model that also includes the above-mentioned Anderson disorder, and show that the effects produced by Anderson disorder are far less important than those produced by quantum site percolation, at least in the determination of the doping concentration at which the metal-to-insulator transition is predicted to occur

Novel Nonreciprocal Acoustic Effects in Antiferromagnets

The possible occurrence of nonreciprocal acoustic effects in antiferromagnets in the absence of an external magnetic field is investigated using both (i) a microscopic formulation of the magnetoelastic interaction between spins and phonons and (ii) symmetry arguments. We predict for certain antiferromagnets the existence of two new nonreciprocal (non-time invariant) effects: A boundary-condition induced nonreciprocal effect and the occurrence of transversal phonon modes propagating in opposite directions having different velocities. Estimates are given and possible materials for these effects to be observed are suggested.Comment: Euro. Phys. Lett. (in press

Experimental Outlook for the Pentaquark

A critical look is taken at both positive and null evidence for the $\Theta^+$ pentaquark. Potential problems with experiments will be discussed and the question of what conclusion can be drawn from both the positive and the null results is examined. First the question of existence of the $\Theta^+$ pentaquark is considered, followed by a discussion of new experiments that are either planned or in progress to answer questions about its mass, width and isospin. Finally, indirect evidence for the parity of the $\Theta^+$ is examined, and suggestions for experiments to measure its parity directly are given.Comment: MESON2004 conference proceedings, 10 pages, 1 figur

Measurement of the reaction \gamma p \TO K^ + \Lambda(1520) at photon energies up to 2.65 GeV

The reaction \gamma p \TO K^+\Lambda(1520) was measured in the energy range from threshold to 2.65 GeV with the SAPHIR detector at the electron stretcher facility ELSA in Bonn. The $\Lambda(1520)$ production cross section was analyzed in the decay modes $pK^-$, $n \bar{K}^0$, $\Sigma^{\pm}\pi^{\mp}$, and $\Lambda\pi^+\pi^-$ as a function of the photon energy and the squared four-momentum transfer $t$. While the cross sections for the inclusive reactions rise steadily with energy, the cross section of the process \gamma p \TO K^+\Lambda(1520) peaks at a photon energy of about 2.0 GeV, falls off exponentially with $t$, and shows a slope flattening with increasing photon energy. The angular distributions in the $t$-channel helicity system indicate neither a $K$ nor a $K^\star$ exchange dominance. The interpretation of the $\Lambda(1520)$ as a $\Sigma(1385)\pi$ molecule is not supported.Comment: 11 pages, 16 figures, 4 table

Measurement of gamma p --> K+ Lambda and gamma p --> K+ Sigma0 at photon energies up to 2.6 GeV

The reactions gamma p --> K+ Lambda and gamma p --> K+ Sigma0 were measured in the energy range from threshold up to a photon energy of 2.6 GeV. The data were taken with the SAPHIR detector at the electron stretcher facility, ELSA. Results on cross sections and hyperon polarizations are presented as a function of kaon production angle and photon energy. The total cross section for Lambda production rises steeply with energy close to threshold, whereas the Sigma0 cross section rises slowly to a maximum at about E_gamma = 1.45 GeV. Cross sections together with their angular decompositions into Legendre polynomials suggest contributions from resonance production for both reactions. In general, the induced polarization of Lambda has negative values in the kaon forward direction and positive values in the backward direction. The magnitude varies with energy. The polarization of Sigma0 follows a similar angular and energy dependence as that of Lambda, but with opposite sign.Comment: 21 pages, 25 figures, submitted to Eur. Phys. J.

Перспективы использования меланинов лузги подсолнечника для очистки сточных вод пищевых производств от анионных азокрасителей

Изучены сорбционные свойства меланинов лузги подсолнечника по отношению к метиловому оранжевому. Установлено, что для исследованных образцов сорбционная активность по метиловому оранжевому составляет 302,1±1,8 мг/г. Для меланинов выявлено высокое сродство к веществам анионного типа. Полученные результаты определяют возможность разработки на основе меланинов сорбентов для очистки сточных вод пищевых производств от анионных моноазокрасителей.Studied are the sorption properties of melanins of sunflower husks in relation to to methyl orange. Discovered that for the samples studied the sorption activity with relation to to methyl-orange is 302,1±1,8 mg/g. . For melanin it was revealed a high affinity to substances of anionic type. The results obtained determine the possibility of development of melanin based sorbents for the purification of wastewater of food production from anionic azo dye

Pseudoconvex domains spread over complex homogeneous manifolds

Using the concept of inner integral curves defined by Hirschowitz we generalize a recent result by Kim, Levenberg and Yamaguchi concerning the obstruction of a pseudoconvex domain spread over a complex homogeneous manifold to be Stein. This is then applied to study the holomorphic reduction of pseudoconvex complex homogeneous manifolds X=G/H. Under the assumption that G is solvable or reductive we prove that X is the total space of a G-equivariant holomorphic fiber bundle over a Stein manifold such that all holomorphic functions on the fiber are constant.Comment: 21 page

Violation of particle number conservation in the it GW approximation

We present a nontrivial model system of interacting electrons that can be solved analytically in the GW approximation. We obtain the particle number from the GW Green's function strictly analytically, and prove that there is a genuine violation of particle number conservation if the self-energy is calculated non-self-consistently from a zeroth order Green's function, as done in virtually all practical implementations. We also show that a simple shift of the self-energy that partially restores self-consistency reduces the numerical deviation significantly