Comment on "Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction" [J. Chem. Phys. 137, 22A530 (2012)]

In spite of the relevance of the proposal introduced in the recent work A. Abedi, N. T. Maitra and E. K. U. Gross, J. Chem. Phys. 137, 22A530, 2012, there is an important ingredient which is missing. Namely, the proof that the norms of the electronic and nuclear wavefunctions which are the solutions to the nonlinear equations of motion are preserved by the evolution. To prove the conservation of these norms is precisely the objective of this Comment.Comment: 2 pages, published versio

Multiple scattering effects in quasi free scattering from halo nuclei: a test to Distorted Wave Impulse Approximation

Full Faddeev-type calculations are performed for $^{11}$Be breakup on proton target at 38.4, 100, and 200 MeV/u incident energies. The convergence of the multiple scattering expansion is investigated. The results are compared with those of other frameworks like Distorted Wave Impulse Approximation that are based on an incomplete and truncated multiple scattering expansion.Comment: 7 pages, 16 figures, to be published in Phys. Rev.

Blade loss transient dynamics analysis, volume 2. Task 2: Theoretical and analytical development. Task 3: Experimental verification

The component element method was used to develop a transient dynamic analysis computer program which is essentially based on modal synthesis combined with a central, finite difference, numerical integration scheme. The methodology leads to a modular or building-block technique that is amenable to computer programming. To verify the analytical method, turbine engine transient response analysis (TETRA), was applied to two blade-out test vehicles that had been previously instrumented and tested. Comparison of the time dependent test data with those predicted by TETRA led to recommendations for refinement or extension of the analytical method to improve its accuracy and overcome its shortcomings. The development of working equations, their discretization, numerical solution scheme, the modular concept of engine modelling, the program logical structure and some illustrated results are discussed. The blade-loss test vehicles (rig full engine), the type of measured data, and the engine structural model are described

Nonextensive thermodynamic functions in the Schr\"odinger-Gibbs ensemble

Schr\"odinger suggested that thermodynamical functions cannot be based on the gratuitous allegation that quantum-mechanical levels (typically the orthogonal eigenstates of the Hamiltonian operator) are the only allowed states for a quantum system [E. Schr\"odinger, Statistical Thermodynamics (Courier Dover, Mineola, 1967)]. Different authors have interpreted this statement by introducing density distributions on the space of quantum pure states with weights obtained as functions of the expectation value of the Hamiltonian of the system. In this work we focus on one of the best known of these distributions, and we prove that, when considered in composite quantum systems, it defines partition functions that do not factorize as products of partition functions of the noninteracting subsystems, even in the thermodynamical regime. This implies that it is not possible to define extensive thermodynamical magnitudes such as the free energy, the internal energy or the thermodynamic entropy by using these models. Therefore, we conclude that this distribution inspired by Schr\"odinger's idea can not be used to construct an appropriate quantum equilibrium thermodynamics.Comment: 32 pages, revtex 4.1 preprint style, 5 figures. Published version with several changes with respect to v2 in text and reference

Teacher participation & qualifications regarding extra-curricula sport activities

En la presente investigación se aborda el estudio y análisis de la intervención docente del profesorado de las actividades físico-deportivas extraescolares en los centros educativos de Educación Secundaria de la Comunidad de Madrid en función de su formación inicial. La investigación sigue una metodología cuantitativa de corte descriptivo, a través de la encuesta. El tamaño de la muestra es de 350 personas y para su cálculo se consideraron varios aspectos: la población era finita; se recurre en la varianza poblacional al supuesto más desfavorable donde “P” y “Q” son iguales con el 50% cada uno; el intervalo de confianza es del 95,5%, con un margen de error del ± 4,75%. Los resultados revelan que existe un alto porcentaje de profesores que no realizan una programación de sus actividades ni tampoco evalúan a sus alumnos. Asimismo, los resultados sugieren que la intervención docente de las personas no tituladas es menos adecuada.In this research is done the study and analysis of teacher intervention in the extra-curricular sport activities of educational centres for secondary education in Comunidad de Madrid. The research follows a quantitative methodology with a descriptive profile which, across survey, in which a cross-sectional survey have been carried out.The size of the sample is 350 people and for its calculation, several aspects have been considered: The population was finite; the least favourable hypothesis is considered in the population variation, where “P” and “Q” are equal, with 50% each; the confidence interval is 95%, with an error margin of ± 4.75%. The results reveal that exits a high percentage of teachers who don’t programme their activities and don’t evaluate their students. Furthermore, the results suggest that the teacher intervention is less adequate to the teachers who don’t have any qualification

Orientaciones metodológicas : la titulación de farmacia y las tecnologías de la infomación y las comunicaciones en el espacio europeo de enseñanza superior

Entre las orientaciones metodológicas de las administraciones educativas para el desarrollo de las programaciones docentes de la titulación de Licenciado en Farmacia, centramos nuestra atención en el uso de las tecnologías de la información y las comunicaciones (TIC), intentado determinar su estatus actual dentro del área de conocimiento farmacéutico, en cuanto a su nivel de desarrollo y utilización por parte de los docentes y el alumnado. Para ello, realizamos un análisis del uso de estas tecnologías entre estos dos grupos dentro de la Facultad de Farmacia de la Universidad de Granada. Además, realizamos una discusión sobre lo que debe ser su futura evolución y expansión como herramienta del proceso de enseñanza/aprendizaje dentro del Espacio Europeo de Enseñanza Superior (EEES)

Programa simulador de las prácticas de Tecnología Farmacéutica del departamento de Farmacia y Tecnología Farmacéutica de la Universidad de Granada

Diseño de un programa Visual C++ que permita satisfacer las necesidades docentes de las prácticas de la asignatura Tecnología Farmacéutica General de la licenciatura en Farmacia de la Universidad de Granada. De esta manera, el alumno podrá asimilar mejor los contenidos aprendidos en las clases de teoría de la asignatura. Este programa, mediante un agradable entorno de comunicación con el usuario, permitirá el acceso (previo al trabajo práctico en el aula de laboratorio) a las partes de estas prácticas que precisan de un refuerzo educativo, permitiendo su simulación, la realización de cálculos o el desarrollo de otras actividades propuestas. Estas operaciones se complementan en poco tiempo, presentándose en forma gráfica los resultados. La interfaz de comunicación con el usuario será muy atractiva y contendrá la ayuda necesaria para manipular el programa con facilidad. El usuario podrá observar de inmediato la influencia de los múltiples parámetros en la solución y profundizar en la comprensión de cada una de las prácticas propuestas

Plasmonic enhancement of molecular hydrogen dissociation on metallic magnesium nanoclusters

Light-driven plasmonic enhancement of chemical reactions on metal catalysts is a promising strategy to achieve highly selective and efficient chemical transformations. The study of plasmonic catalyst materials has traditionally focused on late transition metals such as Au, Ag, and Cu. In recent years, there has been increasing interest in the plasmonic properties of a set of earth-abundant elements such as Mg, which exhibit interesting hydrogenation chemistry with potential applications in hydrogen storage. This work explores the optical, electronic, and catalytic properties of a set of metallic Mg nanoclusters with up to 2057 atoms using time-dependent density functional tight-binding and density functional theory calculations. Our results show that Mg nanoclusters are able to produce highly energetic hot electrons with energies of up to 4 eV. By electronic structure analysis, we find that these hot electrons energetically align with electronic states of physisorbed molecular hydrogen, occupation of which by hot electrons can promote the hydrogen dissociation reaction. We also find that the reverse reaction, hydrogen evolution on metallic Mg, can potentially be promoted by hot electrons, but following a different mechanism. Thus, from a theoretical perspective, Mg nanoclusters display very promising behaviour for their use in light promoted storage and release of hydrogen