Search results for "Principle"
showing 10 items of 1023 documents
Multi-level coupled cluster theory
2014
We present a general formalism where different levels of coupled cluster theory can be applied to different parts of the molecular system. The system is partitioned into subsystems by Cholesky decomposition of the one-electron Hartree-Fock density matrix. In this way the system can be divided across chemical bonds without discontinuities arising. The coupled cluster wave function is defined in terms of cluster operators for each part and these are determined from a set of coupled equations. The total wave function fulfills the Pauli-principle across all borders and levels of electron correlation. We develop the associated response theory for this multi-level coupled cluster theory and prese…
Witnessing non-Markovian effects of quantum processes through Hilbert-Schmidt speed
2020
Non-Markovian effects can speed up the dynamics of quantum systems while the limits of the evolution time can be derived by quantifiers of quantum statistical speed. We introduce a witness for characterizing the non-Markovianity of quantum evolutions through the Hilbert-Schmidt speed (HSS), which is a special type of quantum statistical speed. This witness has the advantage of not requiring diagonalization of evolved density matrix. Its sensitivity is investigated by considering several paradigmatic instances of open quantum systems, such as one qubit subject to phase-covariant noise and Pauli channel, two independent qubits locally interacting with leaky cavities, V-type and $\Lambda $-typ…
Heisenberg Uncertainty Relation in Quantum Liouville Equation
2009
We consider the quantum Liouville equation and give a characterization of the solutions which satisfy the Heisenberg uncertainty relation. We analyze three cases. Initially we consider a particular solution of the quantum Liouville equation: the Wigner transformf(x,v,t) of a generic solutionψ(x;t) of the Schrödinger equation. We give a representation ofψ(x,t) by the Hermite functions. We show that the values of the variances ofxandvcalculated by using the Wigner functionf(x,v,t) coincide, respectively, with the variances of position operatorX^and conjugate momentum operatorP^obtained using the wave functionψ(x,t). Then we consider the Fourier transform of the density matrixρ(z,y,t) =ψ∗(z,t)…
La Carta Social Europea y los derechos sociales emergentes: una aproximación al derecho de acceso a la información ambiental
2021
La protección de los derechos sociales constituye, hoy en día, un fin primordial, y en Europa, la Carta Social Europea Revisada juega un papel relevante como guardiana del modelo del Estado social, como verdadera Constitución Social de Europa y como el estándar de protección más elevado de los derechos sociales, en general, y de los derechos sociales emergentes, en particular. Así, resulta de especial interés estudiar el derecho de acceso a la información ambiental como derecho social emergente derivado, en gran parte, del genérico derecho a un medio ambiente sano. Este derecho se puede definir, en términos muy simples, como el derecho del público en general a recibir información relacionad…
Design principles for learning analytics information systems in higher education
2020
This paper reports a design science research (DSR) study that develops, demonstrates and evaluates a set of design principles for information systems (IS) that utilise learning analytics to support learning and teaching in higher education. The initial set of design principles is created from theory-inspired conceptualisation based on the literature, and they are evaluated and revised through a DSR process of demonstration and evaluation. We evaluated the developed artefact in four courses with a total enrolment of 1,173 students. The developed design principles for learning analytics information systems (LAIS) to establish a foundation for further development and implementation of learning…
Commodity Tax Competition and Industry Location Under the Destination- and the Origin-Principle
2007
We develop a model of commodity tax competition with monopolistically competitive internationally mobile firms, transport costs, and asymmetric country sizes. We investigate the impacts of non-cooperative tax setting, as well as of tax harmonization and changes in the tax principle, in both the short and the long run. The origin principle, when compared to the destination principle, is shown to exacerbate tax competition and to erode tax revenues, yet leads to a more equal spatial distribution of economic activity. This suggests that federations which care about spatial inequality, like the European Union, face a non-trivial choice for their tax principle that goes beyond the standard consi…
Cargo-Cult Containerization : A Critical View of Containers in Modern Software Development
2022
Software is increasingly developed and deployed using containers. While the concept of a container is conceptually straightforward, there are various issues to be considered while using them, ranging from technical details inside containers to the orchestration of containers that jointly form a meaningful application. In recent years, the use of containers has become so prevalent that developers have a tendency to resort to cargo-cult containerization - ritual adherence to the use of containers just because so many others are doing the same thing. In this paper, we study advantages and downsides of containers in modern-day software development. We foresee the use of containers to spread int…
OPTIMAL AIRLINE SEAT INVENTORY CONTROL FOR MULTI-LEG FLIGHTS
2005
Abstract For large commercial airlines, efficiently setting and updating seat allocation targets for each passenger category on each multi-leg flight is an extremely difficult problem. This paper presents static and dynamic models of airline seat inventory control for multi-leg flights with multiple fare classes, which allow one to maximize an expected contribution to profit. The dynamic model uses the most recent demand and capacity information and allows one to allocate seats dynamically and anticipatory over time.
Defect interaction and local structural distortions in Mg-doped LaGaO3: A combined experimental and theoretical study
2017
A combined experimental and theoretical study of Mg-doped LaGaO3 electrolyte was carried out, with the aim to unveil the interaction between oxygen vacancy (Vo) and perovskite B site cations. LaGaO3 (LG) and LaGa0.875Mg0.125O2.938 (LGM0125) samples were comprehensively characterized by X-ray absorption spectroscopy (XAS) and X-ray diffraction, in order to investigate short- and long-range structures of both undoped and Mg-doped materials. XAS analysis evidenced a preferential Ga-Vo interaction in LGM0125, confirmed by periodic hybrid density functional theory calculations, which were combined with a symmetry-independent classes (SICs) approach in order to (a) obtain a detailed picture of th…
Measuring Inaccessible Residual Stresses Using Multiple Methods and Superposition
2010
The traditional contour method maps a single component of residual stress by cutting a body carefully in two and measuring the contour of the cut surface. The cut also exposes previously inaccessible regions of the body to residual stress measurement using a variety of other techniques, but the stresses have been changed by the relaxation after cutting. In this paper, it is shown that superposition of stresses measured post-cutting with results from the contour method analysis can determine the original (pre-cut) residual stresses. The general superposition theory using Bueckner’s principle is developed and limitations are discussed. The procedure is experimentally demonstrated by determini…