Search results for " Augmented"

showing 10 items of 46 documents

Time-dependent density-functional theory in the projector augmented-wave method

2008

We present the implementation of the time-dependent density-functional theory both in linear-response and in time-propagation formalisms using the projector augmented-wave method in real-space grids. The two technically very different methods are compared in the linear-response regime where we found perfect agreement in the calculated photoabsorption spectra. We discuss the strengths and weaknesses of the two methods as well as their convergence properties. We demonstrate different applications of the methods by calculating excitation energies and excited state Born–Oppenheimer potential surfaces for a set of atoms and molecules with the linear-response method and by calculating nonlinear e…

ELECTRONIC EXCITATIONStime propagationGeneral Physics and AstronomySpectral linelaw.inventionlinear responseATOMSlawQuantum mechanicsSPECTRAPhysical and Theoretical ChemistryEXCHANGEEQUATIONSPhysicsREAL-TIMEPhysicsAtoms in moleculesTime-dependent density functional theorytime-dependent density-functional theoryNonlinear systemProjectorRESPONSE THEORYphotoabsorptionExcited statenon-linear responseProjector augmented wave methodDensity functional theoryCLUSTERSAPPROXIMATION
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Mostrare l’invisibile: il soffitto trecentesco nascosto del convento di Santa Caterina a Palermo

2022

Digital surveying and representation technologies have been widely used for the visualization of works of art and architecture that no longer exist or have been moved from their original location. These researches share a common feature, that can be resumed by the motto “Display the invisible”, already used in research experiences [Colosi et al. 2015; Gambin et al. 2021]. The purpose of this research is the visualization of a 14th century wooden ceiling, painted by anonymous artists, that covered the hall used for the assembly of the Chapter in the convent of Santa Caterina, at the heart of the historic center of Palermo. The hall was reshaped at the end of the 18th century to serve as a sa…

Hidden heritage wooden ceilings digital representation motion tracking augmented realitySettore ICAR/17 - Disegno
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AUGMENTED REALITY. PAST, PRESENT, FUTURE.

2013

The access to information is a right and a duty. An accessible website becomes a universal resource for all people who surf the net, it becomes a powerful tool to spread its message and its information with the conscious and the knowledge that the information will come to anyone who wants to access it. The innovative technologies of graphic communication (ICT) are the means to allow this cultural diffusion. In this paper the goal is to demonstrate that a conscious use of ICT allows the accessibility of the cultural heritage. The case study is on the prisons of the Inquisition in Palermo. A great opportunity has permitted to carry out a cultural, historical, architectural and social research…

Impact factorComputer sciencePrestigeMuseum informaticsInformation scienceVisual artsSocial researchCultural heritageInformaticsCultural heritage managementAugmented realitySettore ICAR/17 - DisegnoCompetence (human resources)museum virtual models Augmented Reality prison of Inquisition.
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Stakeholder Strategy and Design Alignment Framework for Design Science Research – A Study in the Context of VR-Aided Marketing and Sales

2020

This study introduces a framework to align various perceptions and objectives that different stakeholders have at the beginning of a Design Science Research (DSR) process and consolidate them into stakeholders’ strategies and theory-ingrained design artifacts. We coin this framework as Stakeholder Strategy and Design Alignment (SSDA). As an application area, we concentrate on a Virtual Reality (VR) application designed for marketing and sales purposes. The empirical testing of the framework shows that the marketing and sales potential of the application are, indeed, perceived very differently among three stakeholder groups: company representatives, developers and customers. In addition to t…

Knowledge managementCo-designed Services and Applications [Mixed Augmented and Virtual Reality]Computer sciencebusiness.industryeducationStakeholderContext (language use)Virtual realitymarkkinointiviestintävirtuaalitodellisuusmyyntityösalesdesign science researchmarkkinointimarketingvirtual realityDesign science researchsidosryhmät512 Business and Managementbusinessstakeholder alignmentdigitaalinen markkinointiProceedings of the Annual Hawaii International Conference on System Sciences
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Virtual and augmented reality: Advancing research in consumer marketing

2020

Abstract Virtual reality (VR) and augmented reality (AR) technologies are having a profound impact on a variety of marketing practices and are attracting increasing attention from marketing researchers. In this article, we review developments in VR/AR applications and research in the area of consumer marketing. We propose a conceptual framework for VR/AR research in consumer marketing that centers around consumer experiences provided by VR/AR applications along the customer journey and the effectiveness of such applications, and delve into the key concepts and components of the framework. Next, we provide a comprehensive overview of VR/AR applications in current practices and extant researc…

MarketingComputer science05 social sciencesVirtual realityVariety (cybernetics)Consumer experienceExtant taxonConceptual frameworkVirtual reality Augmented reality Consumer experience Customer journey VR/AR effectiveness0502 economics and businessKey (cryptography)050211 marketingAugmented realityMarketing050203 business & management
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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method.

2011

Electronic structure calculations have become an indispensable tool in many areas of materials science and quantum chemistry. Even though the Kohn-Sham formulation of the density-functional theory (DFT) simplifies the many-body problem significantly, one is still confronted with several numerical challenges. In this article we present the projector augmented-wave (PAW) method as implemented in the GPAW program package (https://wiki.fysik.dtu.dk/gpaw) using a uniform real-space grid representation of the electronic wavefunctions. Compared to more traditional plane wave or localized basis set approaches, real-space grids offer several advantages, most notably good computational scalability an…

Materials scienceCondensed Matter PhysicsGridComputational sciencelaw.inventionMany-body problemProjectorlawQuantum mechanicsConvergence (routing)Projector augmented wave methodGeneral Materials ScienceDensity functional theoryRepresentation (mathematics)Basis setJournal of physics. Condensed matter : an Institute of Physics journal
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The electronic structure of zircon-type orthovanadates: Effects of high-pressure and cation substitution

2012

The electronic structure of four ternary-metal oxides containing isolated vanadate ions is studied. Zircon-type YVO4, YbVO4, LuVO4, and NdVO4 are investigated by high-pressure optical-absorption measurements up to 20 GPa. First-principles calculations based on density-functional theory were also performed to analyze the electronic band structure as a function of pressure. The electronic structure near the Fermi level originates largely from molecular orbitals of the vanadate ion, but cation substitution influence these electronic states. The studied ortovanadates, with the exception of NdVO4, undergo a zircon-scheelite structural phase transition that causes a collapse of the band-gap energ…

Materials scienceINITIO MOLECULAR-DYNAMICSGeneral Physics and AstronomyBASIS-SETFOS: Physical sciencesElectronic structureAUGMENTED-WAVE METHODPhysics::GeophysicsYVO4symbols.namesakeCondensed Matter::Materials ScienceRAMANPhase (matter)Physics - Chemical PhysicsVanadateMolecular orbitalElectronic band structureBasis setAB-INITIOChemical Physics (physics.chem-ph)Condensed Matter - Materials ScienceTOTAL-ENERGY CALCULATIONSFermi levelMaterials Science (cond-mat.mtrl-sci)INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; AB-INITIO; OPTICAL-ABSORPTION; BASIS-SET; TRANSITION; RAMAN; YVO4; CRYSTALSCRYSTALSCrystallographyOPTICAL-ABSORPTIONsymbolsDensity functional theoryTRANSITION
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Semiempirical pseudopotential approach for nitride-based nanostructures and {\it ab initio} based passivation of free surfaces

2013

We present a semiempirical pseudopotential method based on screened atomic pseudopotentials and derived from \textit{ab initio} calculations. This approach is motivated by the demand for pseudopotentials able to address nanostructures, where \textit{ab initio} methods are both too costly and insufficiently accurate at the level of the local-density approximation, while mesoscopic effective-mass approaches are inapplicable due to the small size of the structures along, at least, one dimension. In this work we improve the traditional pseudopotential method by a two-step process: First, we invert a set of self-consistently determined screened {\it ab initio} potentials in wurtzite GaN for a ra…

Mesoscopic physicsMaterials scienceCondensed Matter - Mesoscale and Nanoscale PhysicsAb initioFOS: Physical sciencesElectronic structureCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsPseudopotentialCondensed Matter::Materials ScienceAb initio quantum chemistry methodsMesoscale and Nanoscale Physics (cond-mat.mes-hall)Physics::Atomic and Molecular ClustersProjector augmented wave methodLocal-density approximationAtomic physicsWurtzite crystal structure
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First principles modeling of 3d-metal doped three-layer fluorite-structured TiO2 (4,4) nanotube to be used for photocatalytic hydrogen production

2017

This study has been supported by the EC ERA.Net RUS Plus project No. 237 WATERSPLIT, Russian Basic Research Foundation No. 16-53-76019, and additionally by the IMIS2 Program (Latvia). The authors are also indebted to R. A. Evarestov and O. Lisovski for stimulating discussions as well as to A. Chesnokov for technical assistance.

NanotubeMaterials scienceHydrogenBand gapInorganic chemistrychemistry.chemical_elementLinearized augmented cylindrical waves02 engineering and technology010402 general chemistry01 natural sciencesCondensed Matter::Materials SciencePhotocatalysisInstrumentationDopantDoping:NATURAL SCIENCES::Physics [Research Subject Categories]021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesSurfaces Coatings and FilmschemistryLinear combination of atomic orbitalsLinear combination of atom-centered gaussian-type orbitalsFluorite-structured titania nanotubesPhysical chemistryWater splittingDensity functional theoryBand-gap engineering0210 nano-technologyVacuum
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Viaggi nell’immaginario: il turismo virtuale nel sito UNESCO di Tarragona

2023

Le nuove tecnologie hanno trasformato in modo radicale non solo la geografia come disciplina, ma anche le geografie del mondo. Il digitale ha assunto, infatti, un ruolo di mediazione sempre più pervasivo nella produzione dello spazio, come delle conoscenze e degli immaginari geografici. Le possibilità offerte dal virtuale, in particolare, offrono oggi un contributo decisivo nella comunicazione dei significati attribuiti ai luoghi e rispondono in modo sempre più efficace ai bisogni emergenti del settore turistico. Le esperienze di visita mediate dal digitale mirano a coinvolgere i sensi e risultano efficaci quando promuovono immersioni rigorosamente realistiche. Nel quadro di queste riflessi…

New technologies have radically transformed not only geography as a discipline but also the geographies of the world. Indeed the digital has assumed an increasingly pervasive mediating role in the production of space as of geographic knowledge and imaginaries. The possibilities offered by the virtual in particular now offer a decisive contribution in communicating the meanings attributed to places and respond increasingly effectively to the emerging needs of the tourism sector. Digitally mediated visitor experiences aim to engage the senses and are effective when they promote rigorously realistic immersions. Within the framework of these reflections the paper highlights the renewed relevance of authenticity both of the tourism experience and of cultural heritage in relation to its potential for attraction and proposes a contextualization of the theme in light of the unprecedented opportunities granted by technologies for the creation of virtual and augmented spaces. The proposed discussion is therefore also a journey aimed at exploring authenticity as a tool through which new technologies can effectively mediate a sense of place and foster brand communication of a destination. The case study is the UNESCO site of Tarragona whose most relevant image for urban policies is presented. This shared figuration spatially defined and rooted in a precise historical moment is reconstructed on the one hand through the analysis of functional documentation for the candidacy and on the other by means of a review of mobile applications developed for the promotion of the city's cultural heritage. The proposed journey and exploration of the place return in light of the research data and in conclusion the central role played by digital technologies in mediating the UNESCO imaginary. The forms of virtual tourism in Tarragona confirm that to travel is to experience a text enveloped in time and inscribed in space.Settore M-GGR/01 - Geografia
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