Recent developments in LIBXC — A comprehensive library of functionals for density functional theory

LIBXC is a library of exchange–correlation functionals for density-functional theory. We are concerned with semi-local functionals (or the semi-local part of hybrid functionals), namely local-density approximations, generalized-gradient approximations, and meta-generalized-gradient approximations. Currently we include around 400 functionals for the exchange, correlation, and the kinetic energy, spanning more than 50 years of research. Moreover, LIBXC is by now used by more than 20 codes, not only from the atomic, molecular, and solid-state physics, but also from the quantum chemistry communities. © 2017 The AuthorsPeer reviewe

Stress distribution in GaN nanopillars using confocal Raman mapping technique

In this Letter, high-resolution confocal Raman mapping of stress distribution in etched and re-grown GaN nanopillar structures is investigated. Results of the E2(high) phonon line mapping of the top surfaces of individual nanopillars reveal differences in stress between both the center and edge of the nanopillar top surfaces and between the etched and re-grown GaN nanopillar structures. In-plane biaxial compressive stress with the values of 0.36–0.42 GPa and 0.49–0.54 GPa is observed at the center of etched and re-grown GaN nanopillars, respectively. The in-plane biaxial compressive stress decreases from center to edge in re-grown GaN nanopillar due to the tilted facets. Also, the A1(LO) phonon frequency increases from center to edges, or tilted facets, due to the tilt of the c-axis of re-grown GaN nanopillar.Peer reviewe

Measurements of muon flux in the Pyh\"asalmi underground laboratory

The cosmic-ray induced muon flux was measured at several depths in the Pyh\"asalmi mine (Finland) using a plastic scintillator telescope mounted on a trailer. The flux was determined at four different depths underground at 400 m (980 m.w.e), at 660 m (1900 m.w.e), at 990 m (2810 m.w.e) and at 1390 m (3960 m.w.e) with the trailer, and also at the ground surface. In addition, previously measured fluxes from depths of 90 m (210 m.w.e) and 210 m (420 m.w.e) are shown. A relation was obtained for the underground muon flux as a function of the depth. The measured flux follows well the general behaviour and is consistent with results determined in other underground laboratories.Comment: 8 pages, 2 figures. Submitted to Nuclear Instrum. Methods

Business process modelling and visualisation to support e-government decision making: Business/IS alignment

© 2017 Springer-Verlag. The final publication is available at Springer via https://doi.org/10.1007/978-3-319-57487-5_4.Alignment between business and information systems plays a vital role in the formation of dependent relationships between different departments in a government organization and the process of alignment can be improved by developing an information system (IS) according to the stakeholders’ expectations. However, establishing strong alignment in the context of the eGovernment environment can be difficult. It is widely accepted that business processes in the government environment plays a pivotal role in capturing the details of IS requirements. This paper presents a method of business process modelling through UML which can help to visualise and capture the IS requirements for the system development. A series of UML models have been developed and discussed. A case study on patient visits to a healthcare clinic in the context of eGovernment has been used to validate the models

Ontology Domain Modeling Support for Multilingual Servicies in e-commerce: MKBEEM

One of the main objectives of a truly user-friendly Information Society is to focus on advanced human language technologies enabling cost-effective interchange across language and culture and more natural interfaces to digital services. The recently launched IST-1999-10589 project MKBEEM (Multilingual Knowledge Based European Electronic Marketplace, 1st Feb. 2000 - 1st Aug. 2002) is rightly in that direction and the work will address basically, written language technologies and its use in the key sector of global business and electronic commerce. In particular MKBEEM will focus on adding multilinguality to all stages of the information cycle, including multilingual content generation and maintenance, automated translation and interpretation and enhancing the natural interactivity and usability of the service with unconstrained language input. On the Knowledge engineering side, the MKBEEM Ontologies will provide a consensual representation of the electronic commerce field in three typical Domains (Tourism, Mail order, Retailers) allowing the exchanges independently of the language of the end user, the service, or the content provider. Ontologies will be used for classifying and indexing catalogues, for filtering user’s query, for facilitating multilingual man-machine dialogues between user and software agent, and for inferring information that is relevant to the user’s request. This paper concentrates on ontology issues, while the used human language processing approaches will be presented closely in our later papers