Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 11 of 11 for “"extensivity"”.
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Extensivity relative to a bifunctor
… extensive morphisms, which allow one to study extensivity in categories that are not themselves extensive. From the functorial viewpoint, we introduce near-sums, functorial replacements for coproducts in categories lacking them. Near-sums provide a natural setting for extending the theory of …
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Sums and covers in categories
… exhibit matrix representations. We study extensivity for sum structures, and focus on extensivity relative to cover-reflecting morphisms. We introduce and explore a new class of morphisms, called monilmorphisms, and use them to construct examples of sum structures exhibiting precisely the …
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Theory and Applications of Fluctuating-Charge Models
… screening effects in obtaining correct size extensivity in electrostatic properties. Analyzing the spatial symmetries of these properties allows us to shed light on the role of charge conservation in the electronegativity equalization process. Finally, we develop a water model for use in …
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Wavefunction-based method for excited-state electron correlations in periodic systems - application to polymers
… are taken into account. An appropriate size-extensivity correction to the MRCI(SD) correlation energies is developed which takes into account the open-shell character of the excited states. This approach is applicable to a wide range of polymers and crystals. In the present work …
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On the complexity of energy landscapes: algorithms and a direct test of the Edwards conjecture
… By means of numerical simulation we show the extensivity of the granular entropy as proposed by S.F. Edwards for three-dimensional jammed soft-sphere packings and produce a direct test of the Edwards conjecture for the equivalent two dimensional systems. We find that Edwards’ hypothesis of …
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Aspects of holography in Lorentz-violating gravity
… This is against the conventional notion of extensivity of information (entropy), but in accord with Bekenstein's proposal on the proportionality of black hole entropy to its event horizon area. Due to the very definition of black holes, however, conventional black hole thermodynamics rely on …
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Gaining New Insights into Spatiotemporal Chaos with Numerics
… extensive chaos with significant deviations from extensivity for small changes in system size and also the power-law growth of the dimension with increasing forcing. The Swift-Hohenberg equation is a partial differential equation for a scalar field, which has been widely used as a model for the …
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Linear soundings : 26 fragments of the linear discourse
… OF SPACE BECAUSE OF THE USE OF ITS POTENTIAL EXTENSIVITY.
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Theoretical and Computational Aspects of the Optimized Effective Potential Approach within Density Functional Theory
… is that it can suffer from a lack of size-extensivity—the total energy of a system of infinitely separated monomers may not scale linearly with the total number of monomers depending upon how we construct the Kohn–Sham potential. Typically, a fixed reference potential is employed to aid in …
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Assessment of the scaled Perdew-Zunger self-interaction correction applied to three levels of density functional approximations
… (PZ) in 1981 to remove the SIE encounters a size-extensivity problem when applied to the Kohn-Sham (KS) orbitals. Hence, we make use of Fermi L\"owdin orbitals (FLO) for applying the PZ-SIC to the density functional approximations (DFAs). FLOs are the unitary transformation of the KS orbitals …