Tools for analysing configuration interaction wavefunctions

The configuration interaction (CI) approach to quantum chemical calculations is a well-established means of calculating accurately the solution to the Schrodinger equation for many-electron systems. It represents the many-body electron wavefunction as a sum of spin-projected Slater determinants of orthogonal one-body spin-orbitals. The CI wavefunction becomes the exact solution of the Schrodinger equation as the length of the expansion becomes infinite, however, it is a difficult quantity to visualise and analyse for many-electron problems. We describe a method for efficiently calculating the spin-averaged one- and two-body reduced density matrices rho(psi)((r) over bar; (r) over bar' ) and Gamma(psi)((r) over bar (1), (r) over bar (2); (r) over bar'(1), (r) over bar'(2)) of an arbitrary CI wavefunction Psi. These low-dimensional functions are helpful tools for analysing many-body wavefunctions; we illustrate this for the case of the electron-electron cusp. From rho and Gamma one can calculate the matrix elements of any one- or two-body spin-free operator (O) over cap. For example, if (O) over cap is an applied electric field, this field can be included into the CI Hamiltonian and polarisation or gating effects may be studied for finite electron systems. (C) 2003 Elsevier B.V. All rights reserved.

The sector of olive-oil cooperatives and the use of ICT: A comparative study regarding othe legal forms

The current global environment and the general increase in the spread and use of Information Technology and Communication (ICT) by companies and consumers, make the use of these technologies as essential to confront the growing competition in the market. Focused on this sector, in this research we analyze the use of electronic commerce, as through websites as through electronic markets, and the use of social networking tools as enablers of business. For this aim, we conducted a comparative analysis between the Andalusian olive oil cooperatives and other legal forms which are present in the sector.

The influence of experience on the research competencies of university professors

Implementation of EHEA, among others, motivates a transforming process in universities and promotes changes in the professor’s tasks. This events, promote changes to which the university professor has to adapt, meaning this to acquire and to develop new competencies to respond correctly to new professional tasks that are demanded. To design training plans in accordance to the new training needs, and to establish referents in accreditation, selection and promotion protocols appear to be necessary to define the new competences profile professors have to face in order to develop their teaching, research and management tasks suitably, and according to their professional settings and professional development stage. A qualitative research was developed to define the emerging competence profile. Quantitative and qualitative methods were mixed as well as different tools (questionnaires, interviews and focus groups) and sources (faculty, experts and students). This article only shows the results obtained from professors (expert and novice) in the 4 research competencies analyzed (design, development and assessment of projects; organization and management of scientific events; development of scientific material; communication and dissemination of scientific knowledges) and the most significant dates of the 30 competency units that compose them. Results show significant differences of self-perception of current competency domain level between novice faculty and expert faculty. These results help us to establish the priority training areas to the faculty according to their professional development stage.

Instrumentos de evaluación utilizados en la formación inicial del profesorado y su coherencia para el desarrollo de competencias profesionales en los estudiantes: visión del alumnado, egresados y profesorado

El objetivo de este trabajo es analizar la frecuencia con que se utilizan diferentes instrumentos y procedimientos de evaluación desde el punto de vista del profesorado, del alumnado y de los egresados en la formación inicial de maestros y profesores especialistas en Educación Física, así como el grado de coherencia –relación- percibido por cada uno de esos grupos implicados entre dichos instrumentos y procedimientos de evaluación y el desarrollo de las competencias profesionales que se pretende adquieran los estudiantes. La muestra objeto de estudio está compuesta por 199 alumnos, 67 egresados y 53 profesores de las titulaciones de Magisterio (especialidad de Educación Física) y Ciencias de la Actividad Física y el Deporte de las universidades de Valladolid, Salamanca y León. Los resultados muestran una clara discrepancia entre los distintos grupos analizados, tanto en lo referido al tipo de instrumentos de evaluación utilizados, como en la valoración del grado de coherencia entre estos y el desarrollo de las competencias profesionales de los futuros maestros.

Lean principles and techniques for improving the quality and productivity of software development projects: a case study

Software product development is recognised as difficult due to the intangible nature of the product, requirements elicitation, effective progress measurement, and so forth. In this paper, we describe some of the challenges of software product development and how the challenges are being met by lean management principles and techniques. Specifically, we examine lean principles and techniques that were devised by Toyota and other manufacturers over the last 50 years. Applying lean principles to software development projects has been advocated for over ten years and it will be shown that the extensive lean literature is a valuable source of ideas for software development. A case study with a software development organisation, Timberline Inc., will demonstrate that lean principles and techniques can be successfully applied to software product development.