Antonio Agustín, Bologna e l’antiquaria del Cinquecento

One of the founders of numismatics in Modern Age was the archbishop of Tarragona and renowned jurist Antonio Agustín. He was educated during the mid-sixteenth century mainly in Italy, particularly in Bologna and Padua. His role in the development of antiquarian studies – and interest in collecting – ran parallel to the development of numismatics in the Cinquecento. His interest in realia , i.e., the materials and documents perceived as primary evidence of history understood in a global sense, make him a pioneer in setting the trends and methodologies which would be later employed by Bernard de Montfaucon. The period Antonio Agustín spent in Bologna, at the Reale Collegio di Spagna, between 1539 and 1544, afforded him the opportunity to enter a very cultivated circle where the admiration and study of the Antique was well established since the mid-fifteenth century. The cultural effervescence taking place in Bologna was encouraged by the court of Giovanni II Bentivoglio and the University alike. Artists also contributed to the development of antiquarian knowledge, and the painter Amico Aspertini (ca. 1475-1552) exemplifies this. It is clear that Antonio Agustín certainly benefited from the scholarly environment in Bologna during the first half of the Cinquecento, which had been firmly anchored since the fertile Quattrocento. Although the documentary evidence is scarce, and it is difficult to pinpoint the details, it is undeniable that Antonio Agustín was heavily influenced by his Bolognese experience.

An algorithm for semi-infinite polynomial optimization

"Vegeu el resum a l'inici del document del fitxer adjunt."

Disseny i implementació d'una base de dades relacional per al manteniment d'aparells d'una empresa

Aquest projecte neix de la necessitat de la nostra empresa client de controlar la gestió del manteniment de tots els equips que té instal·lats en 32 centres i del qual s'encarreguen diverses empreses de serveis especialitzades. Així, per una banda, es tracta de fer l'anàlisi i disseny de la base de dades operacional, els scripts de creació necessaris per a crear la base de dades e implementar els procediments mitjançant els quals es gestionarà i accedirà a la informació de la base de dades. I per una altra banda, es tracta de fer l'anàlisi, disseny e implementació d'un magatzem de dades, per tal de poder explotar la informació per a la presa de decisions.

Repensar l’autoria de les Regles

Text de la conferència que va pronunciar l’autora a propòsit de l’autoria de les Regles, obra del segle XV. Els noms que es barallen com a possibles autors són els de Pere Miquel Carbonell, Jeroni Pau i Bernat Fenollar

Estudio, diseño e implementación de widgets

Los widgets, aplicaciones de escritorio, se han convertido en objeto de estudio. Se ha obtenido una definición del concepto widget, incluyendo ejemplos prácticos, y una comparativa entre las compañias que los ofrecen, así como de sus diferencias a nivel de estructura e implementación en sus widgets. En el apartado de desarrollo se ha creado un widget para la plataforma Macintosh, se detalla el proceso de creación, desde el prototipado a la implementación, también se aportan pautas útiles en el diseño de widgets.

Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3

A general reduced dimensionality finite field nuclear relaxation method for calculating vibrational nonlinear optical properties of molecules with large contributions due to anharmonic motions is introduced. In an initial application to the umbrella (inversion) motion of NH3 it is found that difficulties associated with a conventional single well treatment are overcome and that the particular definition of the inversion coordinate is not important. Future applications are described

Vibration and two-photon absorption

The rigorous and transparent treatment of the effects of nuclear vibrational motion in two-photon absorption (TPA) was discussed. Perturbation formula for diatomic molecules were developed and applied to the X¹Σ+–A¹Π transition in CO. The analysis showed that the vibrations played an important role in TPA, just as their role in the calculation of conventional nonlinear optical (NLO) hyperpolarizabilities

Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities

Compact expressions, complete through second order in electrical and/or mechanical anharmonicity, are given for the dynamic dipole vibrational polarizability and dynamic first and second vibrational hyperpolarizabilities. Certain contributions not previously formulated are now included

Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers

Restricted Hartree-Fock 6-31G calculations of electrical and mechanical anharmonicity contributions to the longitudinal vibrational second hyperpolarizability have been carried out for eight homologous series of conjugated oligomers - polyacetylene, polyyne, polydiacetylene, polybutatriene, polycumulene, polysilane, polymethineimine, and polypyrrole. To draw conclusions about the limiting infinite polymer behavior, chains containing up to 12 heavy atoms along the conjugated backbone were considered. In general, the vibrational hyperpolarizabilities are substantial in comparison with their static electronic counterparts for the dc-Kerr and degenerate four-wave mixing processes (as well as for static fields) but not for electric field-induced second harmonic generation or third harmonic generation. Anharmonicity terms due to nuclear relaxation are important for the dc-Kerr effect (and for the static hyperpolarizability) in the σ-conjugated polymer, polysilane, as well as the nonplanar π systems polymethineimine and polypyrrole. Restricting polypyrrole to be planar, as it is in the crystal phase, causes these anharmonic terms to become negligible. When the same restriction is applied to polymethineimine the effect is reduced but remains quantitatively significant due to the first-order contribution. We conclude that anharmonicity associated with nuclear relaxation can be ignored, for semiquantitative purposes, in planar π-conjugated polymers. The role of zero-point vibrational averaging remains to be evaluated

Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing

A simple extended finite field nuclear relaxation procedure for calculating vibrational contributions to degenerate four-wave mixing (also known as the intensity-dependent refractive index) is presented. As a by-product one also obtains the static vibrationally averaged linear polarizability, as well as the first and second hyperpolarizability. The methodology is validated by illustrative calculations on the water molecule. Further possible extensions are suggested

Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions

In the static field limit, the vibrational hyperpolarizability consists of two contributions due to: (1) the shift in the equilibrium geometry (known as nuclear relaxation), and (2) the change in the shape of the potential energy surface (known as curvature). Simple finite field methods have previously been developed for evaluating these static field contributions and also for determining the effect of nuclear relaxation on dynamic vibrational hyperpolarizabilities in the infinite frequency approximation. In this paper the finite field approach is extended to include, within the infinite frequency approximation, the effect of curvature on the major dynamic nonlinear optical processes

Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

In the finite field (FF) treatment of vibrational polarizabilities and hyperpolarizabilities, the field-free Eckart conditions must be enforced in order to prevent molecular reorientation during geometry optimization. These conditions are implemented for the first time. Our procedure facilities identification of field-induced internal coordinates that make the major contribution to the vibrational properties. Using only two of these coordinates, quantitative accuracy for nuclear relaxation polarizabilities and hyperpolarizabilities is achieved in π-conjugated systems. From these two coordinates a single most efficient natural conjugation coordinate (NCC) can be extracted. The limitations of this one coordinate approach are discussed. It is shown that the Eckart conditions can lead to an isotope effect that is comparable to the isotope effect on zero-point vibrational averaging, but with a different mass-dependence

Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates

An analytical set of field-induced coordinates is defined and is used to show that the vibrational degrees of freedom required to completely describe nuclear relaxation polarizabilities and hyperpolarizabilities is reduced from 3N-6 to a relatively small number. As this number does not depend upon the size of the molecule, the process provides computational advantages. A method is provided to separate anharmonic contributions from harmonic contributions as well as effective mechanical from electrical anharmonicity. The procedures are illustrated by Hartree-Fock calculations, indicating that anharmonicity can be very important

Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties

Three conjugated organic molecules that span a range of polarity and valence-bond/charge transfer characteristics were studied. It was found that dispersion can be insignificant, and that adequate treatment can be achieved with frequency-dependent field-induced vibrational coordinates (FD-FICs)

A variational approach for calculating Franck-Condon factors including mode-mode anharmonic coupling

We have implemented our new procedure for computing Franck-Condon factors utilizing vibrational configuration interaction based on a vibrational self-consistent field reference. Both Duschinsky rotations and anharmonic three-mode coupling are taken into account. Simulations of the first ionization band of Cl O2 and C4 H4 O (furan) using up to quadruple excitations in treating anharmonicity are reported and analyzed. A developer version of the MIDASCPP code was employed to obtain the required anharmonic vibrational integrals and transition frequencies