Search results for "Interaction"
showing 10 items of 5710 documents
Problem of the magnetic anisotropy in orbitally degenerate exchange and mixed-valence clusters
2003
Abstract This contribution summarizes the results obtained in the problem of orbital degeneracy of the metal ions in exchange coupled and mixed-valence (MV) clusters. The theory of the double exchange is generalized and the orbitally degenerate systems are considered. The orbitally dependent double exchange parameter is deduced for the singlet–triplet and triplet–triplet transition metal pairs in three high-symmetric topologies. A new effective Hamiltonian of the magnetic exchange between the ions with unquenched orbital angular momenta is discussed. The technique of the irreducible tensor operators is applied to the problem of the kinetic exchange in these kind of metal clusters. Strong ma…
On the dissociation energy of Cu2 and CuH using a differential correlation approach
1990
The energy contributions involved in the “dissociation-consistent configuration interaction” (DCCI) scheme proposed by Goddard and co-workers plus the dispersion effects associated with the valence MOs adjacent to the bond (DISP) are evaluated for the Cu2 and CuH systems, following the “configuration interaction by perturbation with multiconfigurational zeroth-order wavefunction selected by iterative process” (CIPSI) algorithm. Using a relativistic pseudopotential to represent the neon core of copper, and a flexible basis set for the valence shell, the results obtained with the CIPSI/DCCI (+ DISP) approach shows a good agreement with previous theoretical results employing basis sets of simi…
A theoretical study of the electronic spectrum of thiophene
1993
Abstract The electronic spectrum of thiophene has been studied using multiconfiguration second-order perturbation theory and extended ANO basis sets. The calculations comprise four singlet valence excited states and the 3s3p3rd Rydberg series. The lowest triplet states were included and some n-π* and n-σ* states. The results have been used to assign the experimental spectrum below 8.0 eV, with a maximum deviation of about 0.1 eV for vertical transition energies. The calculations place the 2 1A1 valence state at 5.33 eV, below the 1 1B2 valence state at 5.72 eV, and the most intense valence transitions at 6.69 eV (3 1A1) and 7.32 eV (4 1B2) with oscillator strengths 0.19 and 0.39, respective…
Rydberg, valence and mixed states in the vertical spectrum of HF
2009
Abstract Size-consistent self-consistent multireference singles and doubles configuration interaction (SC)2–MR–SDCI, and linear response coupled cluster of singles and doubles including triples LR–CCSDR(3) methods, with a basis set of ANO’s augmented with a single series of molecular Rydberg functions, have been applied to the calculation of vertical excitation energies of HF in the 10–16 eV region. Special care has been put in the description of the valence, Rydberg and mixed states. Some advantage has been taken from the different physical contents of the methods to discuss some assignments. The (4,5) f Rydberg states of HF are predicted at 15.2 and 15.5 eV.
A Cost-Effective 3D Acquisition and Visualization Framework for Cultural Heritage
2020
Museums and cultural institutions, in general, are in a constant challenge of adding more value to their collections. The attractiveness of assets is practically tightly related to their value obeying the offer and demand law. New digital visualization technologies are found to give more excitements, especially to the younger generation as it is proven by multiple studies. Nowadays, museums around the world are currently trying to promote their collections through new multimedia and digital technologies such as 3D modeling, virtual reality (VR), augmented reality (AR), and serious games. However, the difficulty and the resources required to implement such technologies present a real challen…
Positive Turn in Elder-Care Workers' Views Toward Telecare Robots.
2022
AbstractRobots have been slowly but steadily introduced to welfare sectors. Our previous observations based on a large-scale survey study on Finnish elder-care workers in 2016 showed that while robots were perceived to be useful in certain telecare tasks, using robots may also prove to be incompatible with the care workers’ personal values. The current study presents the second wave of the survey data from 2020, with the same respondents (N = 190), and shows how these views have changed for the positive, including higher expectations of telecare robotization and decreased concerns over care robots’ compatibility with personal values. In a longitudinal analysis (Phase 1), the positive change…
Why have consumers opposed, postponed, and rejected Innovations during a pandemic? A Study of mobile payment Innovations
2021
The highly infectious nature of the COVID-19 virus has made the use of contactless payment methods a health exigency. Yet, consumers are resisting using mobile payments (m-payments) during the pandemic, a confounding behavior that needs to be better understood. The present study explicates this behavior by examining consumer resistance to m-payments during the COVID-19 pandemic. In addition, it provides more granular findings by measuring three levels of resistance/non-adoption, namely, postponement, opposition, and rejection. In this way, the study adds depth to the literature, which has largely examined resistance at an aggregate level to yield generic findings. Toward this end, the study…
Do Children Cooperate Conditionally?:Adapting the Strategy Method for First-Graders
2020
We develop a public goods game (PGG) to measure cooperation and conditional cooperation in young children. Our design addresses several obstacles in adapting simultaneous and sequential PGGs to children who are not yet able to read or write, do not possess advanced abilities to calculate payoffs, and only have a very limited attention span. It features the combination of haptic offline explanation, fully standardized audiovisual instructions, computerized choices based on touchscreens, and a suitable incentive scheme. Applying our experimental protocol to 129 German first-graders, we find that already 6-year-olds cooperate conditionally and that the relative frequency of different cooperati…
Crises and Social Media: A Metastudy on Pertinent Research and Practice
2014
Aiming to structure the academic debate and to demonstrate practical use cases of social media in crisis communication, we present in this metastudy the disciplinary embedment, topical foci, challenges, and research gaps in the literature and application of social media in crisis communication. In particular, our research questions address the characteristics and features of the academic discourse and examine the role of grant givers in steering research foci, as well as the value of research outcomes for crisis communication practice. Therefore, we analyze pertinent academic articles and research projects from the past decade and provide an excursus on the actors and social media communica…
Physicians’ motivations to use mobile health monitoring:a cross-country comparison
2016
While mobile device receives increasing attention as a practical tool to remotely check patients’ health, little research has shed light on physicians’ acceptance of this information and communication technology. This study attempts to fill this research gap by examining how Japanese and Spanish physicians perceive a series of factors associated with mobile diabetes monitoring acceptance, and whether any differences exist in these perceptions between the countries due to different levels of physician scarcity, which is operationalised as the number of physicians available per 10,000 population. The hypotheses were tested by empirical surveys in Japan and Spain. In total, 471 and 497 usable …