Antiferromagnetic exchange interactions from hybrid density functional theory

A hybrid theory which combines the full nonlocal ¿exact¿ exchange interaction with the local spin-density approximation of density-functional theory is shown to lead to marked improvement in the description of antiferromagnetically coupled systems. Semiquantitative agreement with experiment is found for the magnitude of the coupling constant in La2CuO4, KNiF3, and K2NiF4. The magnitude of the unpaired spin population on the metal site is in excellent agreement with experiment for La2CuO4.

Diffusive transport in spatially periodic hydrodynamic flows

We calculate the effective diffusion coefficient in convective flows which are well described by one spatial mode. We use an expansion in the distance from onset and homogenization methods to obtain an explicit expression for the transport coefficient. We find that spatially periodic fluid flow enhances the molecular diffusion D by a term proportional to D-1. This enhancement should be easy to observe in experiments, since D is a small number.

Traveling waves and nonequilibrium stationary patterns in two-component reactive Langmuir monolayers

A simple kinetic model of a two-component phase-separating Langmuir monolayer with a chemical reaction is proposed. Its analysis and numerical simulations show that nonequilibrium periodic stationary structures and patterns of traveling stripes can spontaneously develop. The nonequilibrium phase diagram of this system is constructed and the properties of the patterns are discussed.

Experimental evidence of localized oscillations in the photosensitive chlorine dioxide-iodine-malonic acid reaction

The interaction between Hopf and Turing modes has been the subject of active research in recent years. We present here experimental evidence of the existence of mixed Turing-Hopf modes in a two-dimensional system. Using the photosensitive chlorine dioxide-iodine-malonic acid reaction (CDIMA) and external constant background illumination as a control parameter, standing spots oscillating in amplitude and with hexagonal ordering were observed. Numerical simulations in the Lengyel-Epstein model for the CDIMA reaction confirmed the results.

Chemistry in Catalonia 1990-1995

The seven-year period studied here differs very little from the sixyear period described in the previous Report (1990-1995). Sustained growth was observed in almost all the indicators used to evaluate the resources invested and the scientific results obtained

Extent and limitations of density functional theory in describing magnetic systems

The performance of density-functional theory to solve the exact, nonrelativistic, many-electron problem for magnetic systems has been explored in a new implementation imposing space and spin symmetry constraints, as in ab initio wave function theory. Calculations on selected systems representative of organic diradicals, molecular magnets and antiferromagnetic solids carried out with and without these constraints lead to contradictory results, which provide numerical illustration on this usually obviated problem. It is concluded that the present exchange-correlation functionals provide reasonable numerical results although for the wrong physical reasons, thus evidencing the need for continued search for more accurate expressions.

Self-organizing propagation patterns from dynamic self-assembly in monolayers

Propagation of localized orientational waves, as imaged by Brewster angle microscopy, is induced by low intensity linearly polarized light inside axisymmetric smectic-C confined domains in a photosensitive molecular thin film at the air/water interface (Langmuir monolayer). Results from numerical simulations of a model that couples photoreorientational effects and long-range elastic forces are presented. Differences are stressed between our scenario and the paradigmatic wave phenomena in excitable chemical media.

L'Acadèmia d'Estudiants de medicina : Barcelona, 1845-1850

Amb aquest treball es dona testimoni de l'existència i activitats de l'Acadèmia d'Estudiants de Medicina entre els anys 1845 i 1850, una associació que agrupava els estudiants dels dos últims anys de Medicina. A més a més, els autors fan una descricpció acurada del marc acadèmic per a l'estudi de la medicina en aquella època: el funcionament de la facultat, el nombre de catedràtics, professors i alumnes, les instal·lacions, etc. El treball conté també un registre de les sessions acadèmiques (a raó d'una per setmana) cel·lebrades de les què es guarda referència. Ja per últim, s'inclouen a l'addenda, tres memòries amb tres dissertacions de mans d'Eliseu Forest i Cardona, Antoni de la Creu Roca i Flaquer i Francesc Sunyer i Capdevila.

Els Goigs de l'Hospital General de Santa Creu de Barcelona

L'obra recull per ordre cronòlogic tots els goigs, des del primer conegut, cantats a l'Hospital de la Santa Creu. També estan recollits els càntics actuals de les Germanes Hospitalàries de la Santa Creu.

Incentives and promotion in wage hierarchies

Most of the large firms organization schemes consist in hierarchical structures of tiers with different wage levels. Traditionally the existence of this kind of organizations has been associated to the separation of productive and managerial or supervision tasks and to differences in the skills of the workers. However, many firms now employ workers with similar skills, and then the hierarchical structure can be related to an incentive scheme to ensure that workers supply effort. The model we present investigates how firm owners should determine the optimal wage distribution in order to maximize profits.

Technological Change and Immigration

We develop a simple model where two technologies are available to produce the same good, and we study under what conditions both will be used. We use the model to analyze the consequences of the simultaneous use of two different technologies for the economic variables and economic growth. Finally, we explore how migrations of factors affect the technological change and the performance of the economy.

Parents’ Investments and Education Returns

[cat] Aquest article analitza la relació entre els ingressos dels pares i l’educació dels seus fills. En un context d’altruïsme perfecte, el model descriu les decisions dels pares sobre quant consumir i quant invertir en l’educació dels seus fills. El model prediu que els rendiments de l’educació en termes de sous haurien de ser lineals. Usant aquest model en una economia competitiva, es mostra com el resultat depèn dels subsidis o impostos del govern sobre l’educació. El compromís habitual igualtat-eficiència apareix en aquest context. Finalment, el model dóna intuïcions sobre la relació entre educació i productivitat.

Joan Estelrich i l'Expansió Catalana. La traducció de Prat de la Riba i Cambó en la Itàlia feixista

El text presenta la important tasca de Joan Estelrich en projectar el problema nacional català a l'estranger entre els anys 1919-1926. Se subratlla l'empenta que dóna a la traducció d'obres de la cultura catalana en altres idiomes i especialment a l'italià. En aquest marc s'expliquen les relacions entre aquest intel·lectual català i l'italià Cesare Giardini. Seguint l'epistolari inèdit entre els dos, el text explica els rerefons en què es va fer la traducció de dos obres significatives com La nacionalitat catalana d'Enric Prat de la Riba i Entorn del feixisme italià de Francesc Cambó. En aquest marc, el text reflexiona i critica les interpretacions historiogràfiques que han llegit l'experiència de Cambó com la d'un autor proper al feixisme.