Comparative study between two quantum spin systems KCuCl3_{3} and TlCuCl3_{3}

We have performed an {\it ab initio} study of the electronic structure of two isostructural quantum spin systems, KCuCl$_{3}$ and TlCuCl$_{3}$, which have recently attracted much attention due to their unconventional magnetic properties. Our first-principles analysis shows unambiguously the role of Tl, as opposed to structural differences between the two compounds, in making TlCuCl$_{3}$ a {\it strongly} coupled s=1/2 dimer system compared to KCuCl$_{3}$ which shows a {\it weakly} coupled s=1/2 dimer behavior. Good agreement with the existing analysis of inelastic neutron scattering results has been observed.Comment: minor changes in text with additional references; in EPL forma

Two-loop enhancement factor for 1/Q corrections to event shapes in deep inelastic scattering

We compute the two-loop enhancement factors for our earlier one-loop calculations of leading (1/Q) power corrections to the mean values of some event shape variables in deep inelastic lepton scattering. The enhancement is found to be equal to the universal ``Milan factor'' for those shape variables considered, provided the one-loop calculation is performed in a particular way. As a result, the phenomenology of power corrections to DIS event shapes remains largely unaffected.Comment: 15 pages, 1 figure, uses JHEP.cls. This revised version corrects an error in the calculation of the enhancement factor. The main conclusions remain unchange

Are People Ashamed of Paying with Food Stamps?

As is amply documented, there appears to be a large discrepancy between the marginal propensity to purchase food out of cash income and that out of food stamps. In this paper, we have examined both the formal and empirical bases of the claim that marginal welfare stigma explains this puzzling empirical regularity.SOCIAL WELFARE

Power Corrections to Fragmentation Functions in Non-Singlet Deep Inelastic Scattering

We investigate the power-suppressed corrections to the fragmentation functions of the current jet in non-singlet deep inelastic lepton-hadron scattering. The current jet is defined by selecting final-state particles in the current hemisphere in the Breit frame of reference. Our method is based on an analysis of one-loop Feynman graphs containing a massive gluon, which is equivalent to the evaluation of leading infrared renormalon contributions. We find that the leading corrections are proportional to $1/Q^2$, as in $e^+e^-$ annihilation, but their functional forms are different. We give quantitative estimates based on the hypothesis of universal low-energy behaviour of the strong coupling.Comment: 14 pages, 4 figures, LaTeX2e, uses JHEP.cls (included) and epsfi

Third-Generation TB-LMTO

We describe the screened Korringa-Kohn-Rostoker (KKR) method and the third-generation linear muffin-tin orbital (LMTO) method for solving the single-particle Schroedinger equation for a MT potential. The simple and popular formalism which previously resulted from the atomic-spheres approximation (ASA) now holds in general, that is, it includes downfolding and the combined correction. Downfolding to few-orbital, possibly short-ranged, low-energy, and possibly orthonormal Hamiltonians now works exceedingly well, as is demonstrated for a high-temperature superconductor. First-principles sp3 and sp3d5 TB Hamiltonians for the valence and lowest conduction bands of silicon are derived. Finally, we prove that the new method treats overlap of the potential wells correctly to leading order and we demonstrate how this can be exploited to get rid of the empty spheres in the diamond structure.Comment: latex2e, 32 printed pages, Postscript figs, to be published in: Tight-Binding Approach to Computational Materials Science, MRS Symposia Proceedings No. 491 (MRS, Pittsburgh, 1998

A Lorentzian cure for Euclidean troubles

There is strong evidence coming from Lorentzian dynamical triangulations that the unboundedness of the gravitational action is no obstacle to the construction of a well-defined non-perturbative path integral. In a continuum approach, a similar suppression of the conformal divergence comes about as the result of a non-trivial path-integral measure.Comment: 3 page

The Taming of QCD by Fortran 90

We implement lattice QCD using the Fortran 90 language. We have designed machine independent modules that define fields (gauge, fermions, scalars, etc...) and have defined overloaded operators for all possible operations between fields, matrices and numbers. With these modules it is very simple to write QCD programs. We have also created a useful compression standard for storing the lattice configurations, a parallel implementation of the random generators, an assignment that does not require temporaries, and a machine independent precision definition. We have tested our program on parallel and single processor supercomputers obtaining excellent performances.Comment: Talk presented at LATTICE96 (algorithms) 3 pages, no figures, LATEX file with ESPCRC2 style. More information available at: http://hep.bu.edu/~leviar/qcdf90.htm

Stabilizing the Hexagonal Close Packed Structure of Hard Spheres with Polymers : Phase diagram, Structure, and Dynamics

We study the phase behaviour of a binary mixture of colloidal hard spheres and freely-jointed chains of beads using Monte Carlo simulations. Recently Panagiotopoulos and coworkers predicted [Nat. Commun. 5, 4472 (2014)] that the hexagonal close packed (HCP) structure of hard spheres can be stabilized in such a mixture due to the interplay between polymer and the void structure in the crystal phase. Their predictions were based on estimates of the free-energy penalty for adding a single hard polymer chain in the HCP and the competing face centered cubic (FCC) phase. Here we calculate the phase diagram using free-energy calculations of the full binary mixture and find a broad fluid-solid coexistence region and a metastable gas-liquid coexistence region. For the colloid-monomer size ratio considered in this work, we find that the HCP phase is only stable in a small window at relatively high polymer reservoir packing fractions, where the coexisting HCP phase is nearly close packed. Additionally we investigate the structure and dynamic behaviour of these mixtures.Comment: 8 pages, 5 figure

Correlation effects on the electronic structure of TiOCl: a NMTO+DMFT study

Using the recently developed N-th order muffin-tin orbital-based downfolding technique in combination with the Dynamical Mean Field theory, we investigate the electronic properties of the much discussed Mott insulator TiOCl in the undimerized phase. Inclusion of correlation effects through this approach provides a description of the spectral function into an upper and a lower Hubbard band with broad valence states formed out of the orbitally polarized, lower Hubbard band. We find that these results are in good agreement with recent photo-emission spectra.Comment: 4 pages, 3 figure