Non-Born-Oppenheimer Dynamics of Hydrogen Molecules in Strong Laser-Fields

Die Arbeit behandelt die numerische Untersuchung von Wasserstoff-Moleküldynamik in starken Laserfeldern. Im Speziellen wird die Struktur von Ionisationsspektren bei Einfach-Photoionisation betrachtet. Korrelationen zwischen Elektron- und Kernbewegung werden identifiziert und mit Effekten in den Energiespektren in Verbindung gebracht. Dabei wird stets auf die Integration der zeitabhängigen Schrödingergleichung zurückgegriffen.

Short-term poverty dynamics of rural households: Evidence from Central Sulawesi, Indonesia

The understanding of poverty dynamics is crucial for the design of appropriate poverty reduction strategies. Taking the case of Central Sulawesi, we investigate the determinants of both chronic and transitory poverty using data from 264 randomly selected households interviewed in 2005 and 2007. Regarding the US 1$/day poverty line, the headcount index declined from 19.3% in 2005 to 18.2% in 2007. However, we observed an increasing number of people living on less than US 2$/day expressed in purchasing power parity (PPP). The results of the estimated multinomial logit model applied in this study indicate that a lack of non-agricultural employment opportunities and low endowment of social capital are major determinants of chronic as well as transitory poverty in this province of Indonesia. These results are used to draw policy conclusions with respect to the alleviation of transitory and chronic poverty in Central Sulawesi.

Femtosecond wavepacket interferometry using the rotational dynamics of a trapped cold molecular ion

A Ramsey-type interferometer is suggested, employing a cold trapped ion and two time-delayed offresonant femtosecond laser pulses. The laser light couples to the molecular polarization anisotropy, inducing rotational wavepacket dynamics. An interferogram is obtained from the delay dependent populations of the final field-free rotational states. Current experimental capabilities for cooling and preparation of the initial state are found to yield an interferogram visibility of more than 80%. The interferograms can be used to determine the polarizability anisotropy with an accuracy of about ±2%, respectively ±5%, provided the uncertainty in the initial populations and measurement errors are confined to within the same limits.

Exact Solution of the Nonlinear Dynamics of Recurrent Neural Mechanisms for Direction Selectivity

Different theoretical models have tried to investigate the feasibility of recurrent neural mechanisms for achieving direction selectivity in the visual cortex. The mathematical analysis of such models has been restricted so far to the case of purely linear networks. We present an exact analytical solution of the nonlinear dynamics of a class of direction selective recurrent neural models with threshold nonlinearity. Our mathematical analysis shows that such networks have form-stable stimulus-locked traveling pulse solutions that are appropriate for modeling the responses of direction selective cortical neurons. Our analysis shows also that the stability of such solutions can break down giving raise to a different class of solutions ("lurching activity waves") that are characterized by a specific spatio-temporal periodicity. These solutions cannot arise in models for direction selectivity with purely linear spatio-temporal filtering.

Rearrangement of the urban space in the sector of Saint Victorino and Saint Ines (Bogota) in relation with the dynamics of informality and marginality (1948-2010)

The present article analyze the urban transformations happened in the sector of Saint Victorino and Saint Ines in the city of Bogota D.C. between 1948 and 2010, making use of the "Genealogical Methodology" during the process of inquiry that allow to contrast the visions that are usually accepted of "progress" and "urban renovation" in the urban market context by the existence of a informal economic and a population in conditions of marginality that configures a good part of the "popular urban culture" of the Bogota in the 20th and 21st century. This vision permit to observe from various perspectives the changes that happened in this sector of the city, the impacts of the history facts occurred en this time period and, in special, the real effects of a rearrangement urban process that began in 1998 and has been prolonged to date, which has left a significant mark about the urban and social physiognomy of the place.

Changing dynamics of the interinstitutional relationships between executive and legislature power in Colombia (2002/2006)

This paper describes the relationship between the executive and legislative branches during the first government of Alvaro Uribe Vélez. We will focus on reviewing the legislative output of each branch of power, along with the effectiveness and efficiency they showed as promoters of this production. We will review the impact they had on the legislative agenda setting and on the control of the legislative process  itself, making a diachronic analysis in which each legislature is used as a unit. Thus, we will try to identify the presence (or not) of some kind of pattern interactions,  and we will evaluate, at one hand, the existence of hierarchical and transactional trends, and, on the other, the different types of balances produced  between them.

The dynamics of local hiv-1 epidemics: the colombian and belgian cohorts

We aimed to characterize the HIV-1 epidemic of the Belgian and Colombian cohorts using an integrated approach that includes socio-demographic information, clinical data, and viral sequences, analyzed with statistical and phylogenetic approaches.

Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry

A new practical method to generate a subspace of active coordinates for quantum dynamics calculations is presented. These reduced coordinates are obtained as the normal modes of an analytical quadratic representation of the energy difference between excited and ground states within the complete active space self-consistent field method. At the Franck-Condon point, the largest negative eigenvalues of this Hessian correspond to the photoactive modes: those that reduce the energy difference and lead to the conical intersection; eigenvalues close to 0 correspond to bath modes, while modes with large positive eigenvalues are photoinactive vibrations, which increase the energy difference. The efficacy of quantum dynamics run in the subspace of the photoactive modes is illustrated with the photochemistry of benzene, where theoretical simulations are designed to assist optimal control experiments

Theoretical study of reactivity and dynamics of hybride-bridged diruthenium complexes and silylium

Esta tesis presenta un estudio computacional de los sistemas con hidruros puente. En la primera parte se estudia la química de complejos de dirutenio con cuatro hidruros puente. Esto incluye las siguientes reacciones: el intercambio del hidruro con hidrógeno molecular; la activación del enlace C-H del etileno para formar el complejo de bis(vinilo)-etileno; el acoplamiento C-C entre el etileno coordinado y dos ligandos vinilo para producir el complejo rutenaciclopentadieno. Al final de esta parte, se discuten a detalle los mecanismos de estas reacciones. Además, se demostró la importancia de la flexibilidad de los ligandos hidruro y la cooperación entre los dos centros metálicos. En la segunda parte, se estudió el comportamiento fluxional de dos complejos μ-silileno y de un catión sililio. Con esto, se estableció la ruta más favorable en donde se realiza el intercambio de los ligandos hidruro y de los grupos metilo en los complejos μ-silileno. Finalmente, se encontró que hay dos posibles rutas relativas al cambio en la posición del puente Si-H-Si en el cation sililio poliagóstico, asociadas con la rotación interna de los grupos sililo.

Primary succession in man-made wetlands: biodiversity, structure and dynamics of macrofaunal assemblages

Man-made wetlands are often created to compensate for the loss or degradation of natural wetlands, but little is known about the processes taking place in these artificial environments, especially at the community level. Throughout this thesis, we have assessed the phenomena of primary succession over different time (short-, mid- and long-term) and spatial scales (local, regional, interregional levels), applying different approaches (taxonomic and functional) and subject groups (invertebrates and amphibians). Our main findings regarding time scales show a 3-phase successional pattern in Mediterranean man-made wetlands’ communities, where at the short term (1 year) colonization processes dominate; at mid term perspectives (2 to 7 years) succession signs begin to be conspicuous, and later on (≥ 10 years) parameters such as species richness reach an asymptote. At that moment, some biological strategies dominate, and biodiversity surrogates indicate that communities are indistinct between man-made and natural wetlands. Regarding spatial effects, we corroborated that both local and regional factors affect the establishing communities. Particularly, the low hydrological stability of the Mediterranean region has enhanced biological traits favoring resilience and resistance to disturbances when comparing Mediterranean and cold temperate aquatic communities. Even within the Mediterranean region, low levels of hydrological stability have significant effects on the successional dynamics. In these cases, local communities are highly nested within regional natural ones, and so are not able to make net contributions to regional richness. We also showed the influence of the regional pool of recruiters over local communities, both in the case of invertebrates and amphibians. Especially for the latter group, man-made Mediterranean temporary ponds (MTPs) can play an important role in their conservation.

Dynamics of hydrothermal plumes in Lake Banyoles

Aquesta tesi permet adquirir una millor comprensió de la dinàmica dels plomalls hidrotèrmics en l'estany de Banyoles i correlacionar la meteorologia amb els processos de fluïdització que s'hi produeixen. S'han trobat els patrons atmosfèrics que generen els esdeveniments de les fluïditzacions així com la seva freqüència. Això és crucial per a determinar la qualitat de l'aigua de l'estany. S'han trobat inhomogeneïtats espacials tant en el plomall crònic que es desenvolupa en la cubeta B1, com en el plomall episòdic de la cubeta B2. S'ha caracteritzat l'estructura del plomall generat a la cubeta B2 i s'ha comparat amb el desenvolupat a la cubeta B1. Finalment, s'han realitzat simulacions numèriques mitjançant un model numèric: MIT General Circulation Model, en el qual s'ha hagut de fer canvis en les condicions de contorn per a situar la font convectiva al fons de la columna d'aigua. Les simulacions s'han comparat amb els resultats experimentals trobats mitjançant campanyes.

Studies of dynamics of physical agent ecosystems

This thesis addresses the problem of learning in physical heterogeneous multi-agent systems (MAS) and the analysis of the benefits of using heterogeneous MAS with respect to homogeneous ones. An algorithm is developed for this task; building on a previous work on stability in distributed systems by Tad Hogg and Bernardo Huberman, and combining two phenomena observed in natural systems, task partition and hierarchical dominance. This algorithm is devised for allowing agents to learn which are the best tasks to perform on the basis of each agent's skills and the contribution to the team global performance. Agents learn by interacting with the environment and other teammates, and get rewards from the result of the actions they perform. This algorithm is specially designed for problems where all robots have to co-operate and work simultaneously towards the same goal. One example of such a problem is role distribution in a team of heterogeneous robots that form a soccer team, where all members take decisions and co-operate simultaneously. Soccer offers the possibility of conducting research in MAS, where co-operation plays a very important role in a dynamical and changing environment. For these reasons and the experience of the University of Girona in this domain, soccer has been selected as the test-bed for this research. In the case of soccer, tasks are grouped by means of roles. One of the most interesting features of this algorithm is that it endows MAS with a high adaptability to changes in the environment. It allows the team to perform their tasks, while adapting to the environment. This is studied in several cases, for changes in the environment and in the robot's body. Other features are also analysed, especially a parameter that defines the fitness (biological concept) of each agent in the system, which contributes to performance and team adaptability. The algorithm is applied later to allow agents to learn in teams of homogeneous and heterogeneous robots which roles they have to select, in order to maximise team performance. The teams are compared and the performance is evaluated in the games against three hand-coded teams and against the different homogeneous and heterogeneous teams built in this thesis. This section focuses on the analysis of performance and task partition, in order to study the benefits of heterogeneity in physical MAS. In order to study heterogeneity from a rigorous point of view, a diversity measure is developed building on the hierarchic social entropy defined by Tucker Balch. This is adapted to quantify physical diversity in robot teams. This tool presents very interesting features, as it can be used in the future to design heterogeneous teams on the basis of the knowledge on other teams.