Ordered structures in rotating ultracold Bose gases

Two-dimentional systems of trapped samples of few cold bosonic atoms submitted to strong rotation around the perpendicular axis may be realized in optical lattices and microtraps. We investigate theoretically the evolution of ground state structures of such systems as the rotational frequency Omega increases. Various kinds of ordered structures are observed. In some cases, hidden interference patterns exhibit themselves only in the pair correlation function; in some other cases explicit broken-symmetry structures appear that modulate the density. For N < 10 atoms, the standard scenario, valid for large sytems is absent, and is only gradually recovered as N increases. On the one hand, the Laughlin state in the strong rotational regime contains ordered structures much more similar to a Wigner molecule than to a fermionic quantum liquid. On the other hand, in the weak rotational regime, the possibility to obtain equilibrium states, whose density reveals an array of vortices, is restricted to the vicinity of some critical values of the rotational frequency Omega.

Strongly correlated states of ultracold rotating dipolar Fermi gases

We study strongly correlated ground and excited states of rotating quasi-2D Fermi gases constituted of a small number of dipole-dipole interacting particles with dipole moments polarized perpendicular to the plane of motion. As the number of atoms grows, the system enters an intermediate regime, where ground states are subject to a competition between distinct bulk-edge configurations. This effect obscures their description in terms of composite fermions and leads to the appearance of novel quasihole ground states. In the presence of dipolar interactions, the principal Laughlin state at filling upsilon=1/3 exhibits a substantial energy gap for neutral (total angular momentum conserving) excitations and is well-described as an incompressible Fermi liquid. Instead, at lower fillings, the ground state structure favors crystalline order.

Twist mode in atomic Fermi gases

The quantum-kinetic energy of a finite number of trapped fermionic atoms provides a restoring force for shear motion due to a distortion of the momentum distribution. In analogy to the twist mode of nuclear physics, it is proposed that counter rotating the upper and lower hemisphere of a spherical atomic cloud yields a finite-frequency mode closely related to transverse zero sound waves in bulk Fermi liquids.

Energy and structure of dilute hard- and soft-sphere gases

The energy and structure of dilute hard- and soft-sphere Bose gases are systematically studied in the framework of several many-body approaches, such as the variational correlated theory, the Bogoliubov model, and the uniform limit approximation, valid in the weak-interaction regime. When possible, the results are compared with the exact diffusion Monte Carlo ones. Jastrow-type correlation provides a good description of the systems, both hard- and soft-spheres, if the hypernetted chain energy functional is freely minimized and the resulting Euler equation is solved. The study of the soft-sphere potentials confirms the appearance of a dependence of the energy on the shape of the potential at gas paremeter values of x~0.001. For quantities other than the energy, such as the radial distribution functions and the momentum distributions, the dependence appears at any value of x. The occurrence of a maximum in the radial distribution function, in the momentum distribution, and in the excitation spectrum is a natural effect of the correlations when x increases. The asymptotic behaviors of the functions characterizing the structure of the systems are also investigated. The uniform limit approach is very easy to implement and provides a good description of the soft-sphere gas. Its reliability improves when the interaction weakens.

Temperature-induced resonances and Landau damping of collective modes in Bose-Einstein condensed gases in spherical traps

Interaction between collective monopole oscillations of a trapped Bose-Einstein condensate and thermal excitations is investigated by means of perturbation theory. We assume spherical symmetry to calculate the matrix elements by solving the linearized Gross-Pitaevskii equations. We use them to study the resonances of the condensate induced by temperature when an external perturbation of the trapping frequency is applied and to calculate the Landau damping of the oscillations.

Off-axis vortices in trapped Bose-condensed gases: Angular momentum and frequency splitting

We consider noncentered vortices and their arrays in a cylindrically trapped Bose-Einstein condensate at zero temperature. We study the kinetic energy and the angular momentum per particle in the Thomas-Fermi regime and their dependence on the distance of the vortices from the center of the trap. Using a perturbative approach with respect to the velocity field of the vortices, we calculate, to first order, the frequency shift of the collective low-lying excitations due to the presence of an off-center vortex or a vortex array, and compare these results with predictions that would be obtained by the application of a simple sum-rule approach, previously found to be very successful for centered vortices. It turns out that the simple sum-rule approach fails for off-centered vortices.

Symmetry breaking in small rotating clouds of trapped ultracold Bose atoms

We study the signatures of rotational and phase symmetry breaking in small rotating clouds of trapped ultracold Bose atoms by looking at rigorously defined condensate wave function. Rotational symmetry breaking occurs in narrow frequency windows, where energy degeneracy between the lowest energy states of different total angular momentum takes place. This leads to a complex condensate wave function that exhibits vortices clearly seen as holes in the density, as well as characteristic local phase patterns, reflecting the appearance of vorticities. Phase symmetry (or gauge symmetry) breaking, on the other hand, is clearly manifested in the interference of two independent rotating clouds.

Contractive metrics for a Boltzmann equation for granular gases: diffusive equilibriaThe Patterson-Sullivan embedding and minimal volume entropy for outer space

We quantify the long-time behavior of a system of (partially) inelastic particles in a stochastic thermostat by means of the contractivity of a suitable metric in the set of probability measures. Existence, uniqueness, boundedness of moments and regularity of a steady state are derived from this basic property. The solutions of the kinetic model are proved to converge exponentially as t→ ∞ to this diffusive equilibrium in this distance metrizing the weak convergence of measures. Then, we prove a uniform bound in time on Sobolev norms of the solution, provided the initial data has a finite norm in the corresponding Sobolev space. These results are then combined, using interpolation inequalities, to obtain exponential convergence to the diffusive equilibrium in the strong L¹-norm, as well as various Sobolev norms.

Quantum symmetries for exceptional SU(4) modular invariants associated with conformal embeddings

Three exceptional modular invariants of SU(4) exist at levels 4, 6 and 8. They can be obtained from appropriate conformal embeddings and the corresponding graphs have self-fusion. From these embeddings, or from their associated modular invariants, we determine the algebras of quantum symmetries, obtain their generators,and, as a by-product, recover the known graphs E4, E6 and E8 describing exceptional quantum subgroups of type SU(4). We also obtain characteristic numbers (quantum cardinalities, dimensions) for each of them and for their associated quantum groupoïds.

Determinantes del crecimiento de las emisiones de gases de efecto invernadero en España (1990-2007)

La evolución de los gases de efecto invernadero en España se está distanciando notablemente del objetivo marcado por el Protocolo de Kyoto. En el presente trabajo se analizan los diferentes factores que han contribuido al importante aumento experimentado en las emisiones de gases de efecto invernadero provenientes del consumo de energía en España en el período 1990-2007. La metodología de descomposición factorial utilizada permite hacer una distribución exacta (sin residuos) de la variación de emisiones en diferentes efectos (efecto carbonización, efecto transformación, efecto intensidad y efecto escala). Los resultados muestran claramente que el efecto escala -la variación en el nivel de producción- ha sido determinante en explicar el aumento de emisiones, mientras que la contribución de los otros efectos, que deberían ser los que cambiaran la tendencia de crecimiento de emisiones, no ha permitido moderar su aumento. Una contribución especialmente negativa es la atribuible al efecto intensidad, que refleja la variación en la intensidad energética final del PIB, ya que incluso habría contribuido a aumentar las emisiones. En sentido opuesto, el efecto transformación, el impacto atribuible a la transformación energética, habría contribuido a moderar el aumento de las emisiones totales. El trabajo discute las implicaciones de los resultados obtenidos.

Análisis multi-región input-output (MRIO) de emisiones de gases efecto invernadero (GEI) incorporado en el comercio. Un modelo birregional aplicado a Cataluña y el resto de España

El siguiente trabajo realiza un análisis regional y sectorial para el estudio de la emisiones de gases efecto invernadero (GEI) incorporadas en el comercio entre las regiones de Cataluña y el resto de España para el año 2001, estimando así el Balance Neto en GEI incorporado. El objetivo es el desarrollo de un metodología que nos permita realizar esta estimación de forma rigurosa, con la intención de efectuar un análisis comparativo de ambas estructuras productivas territoriales, en cuanto a la intensidad de emisión y el impacto de la demanda final de las regiones consideradas. Para este propósito se utiliza el marco metodológico del análisis input-output, en particular se aplica dos tipologías de modelos: el modelo básico o single-región y el multi-región, lo que nos permite la comparabilidad entre ambos, demostrando como el modelo MRIO (multi-región input-output) es el método más apropiado para dicho propósito, permitiendo, entre otras ventajas, analizar los vínculos interregionales e intersectoriales de las regiones consideradas. La incorporación de la técnica de la integración vertical o subsistemas, nos permite un enfoque alternativo para el Balance Neto resultante, no tenemos constancia de que este enfoque haya sido utilizado con anterioridad en los análisis MRIO aplicados al estudio de los impactos medioambientales incorporados en el comercio. Tampoco la tenemos sobre la aplicación de los MRIO de forma general para estos impactos a nivel interregional de la economía española. El principal resultado obtenido nos indica que aún teniendo Cataluña un importante superávit comercial con el resto de España, hemos comprobado la existencia de un importante déficit para la primera en cuanto a la polución incorporada en este comercio.

The nature of the Cr-C bond: direct estimation of aromaticity in Fischer carbenes

Report for the scientific sojourn at the the Philipps-Universität Marburg, Germany, from september to december 2007. For the first, we employed the Energy-Decomposition Analysis (EDA) to investigate aromaticity on Fischer carbenes as it is related through all the reaction mechanisms studied in my PhD thesis. This powerful tool, compared with other well-known aromaticity indices in the literature like NICS, is useful not only for quantitative results but also to measure the degree of conjugation or hyperconjugation in molecules. Our results showed for the annelated benzenoid systems studied here, that electron density is more concentrated on the outer rings than in the central one. The strain-induced bond localization plays a major role as a driven force to keep the more substituted ring as the less aromatic. The discussion presented in this work was contrasted at different levels of theory to calibrate the method and ensure the consistency of our results. We think these conclusions can also be extended to arene chemistry for explaining aromaticity and regioselectivity reactions found in those systems.In the second work, we have employed the Turbomole program package and density-functionals of the best performance in the state of art, to explore reaction mechanisms in the noble gas chemistry. Particularly, we were interested in compounds of the form H--Ng--Ng--F (where Ng (Noble Gas) = Ar, Kr and Xe) and we investigated the relative stability of these species. Our quantum chemical calculations predict that the dixenon compound HXeXeF has an activation barrier for decomposition of 11 kcal/mol which should be large enough to identify the molecule in a low-temperature matrix. The other noble gases present lower activation barriers and therefore are more labile and difficult to be observable systems experimentally.

Wellposedness of a nonlinear, logarithmic Schrödinger equation of Doebner-Goldin type modeling quantum dissipation

This paper is concerned with the modeling and analysis of quantum dissipation phenomena in the Schrödinger picture. More precisely, we do investigate in detail a dissipative, nonlinear Schrödinger equation somehow accounting for quantum Fokker–Planck effects, and how it is drastically reduced to a simpler logarithmic equation via a nonlinear gauge transformation in such a way that the physics underlying both problems keeps unaltered. From a mathematical viewpoint, this allows for a more achievable analysis regarding the local wellposedness of the initial–boundary value problem. This simplification requires the performance of the polar (modulus–argument) decomposition of the wavefunction, which is rigorously attained (for the first time to the best of our knowledge) under quite reasonable assumptions.

Fuzzy set Theory and Quantum Chemistry

Es discuteixen breument algunes consideracions sobre l'aplicació de la Teoria delsConjunts difusos a la Química quàntica. Es demostra aqui que molts conceptes químics associats a la teoria són adequats per ésser connectats amb l'estructura dels Conjunts difusos. També s'explica com algunes descripcions teoriques dels observables quàntics espotencien tractant-les amb les eines associades als esmentats Conjunts difusos. La funciódensitat es pren com a exemple de l'ús de distribucions de possibilitat al mateix temps queles distribucions de probabilitat quàntiques

Quantum similarity topological indices definition, analysis and comparison with classical molecular topological indices

Es mostra que, gracies a una extensió en la definició dels Índexs Moleculars Topològics, s'arriba a la formulació d'índexs relacionats amb la teoria de la Semblança Molecular Quàntica. Es posa de manifest la connexió entre les dues metodologies: es revela que un marc de treball teòric sòlidament fonamentat sobre la teoria de la Mecànica Quàntica es pot connectar amb una de les tècniques més antigues relacionades amb els estudis de QSPR. Es mostren els resultats per a dos casos d'exemple d'aplicació d'ambdues metodologies