Search results for "funktion"

showing 10 items of 213 documents

Charge Transfer Plasmons in Dimeric Electron Clusters

2020

The tunability of the optical response of dimers of metal clusters and nanoparticles makes them ideal for many applications from sensing and imaging to inducing chemical reactions. We have studied charge transfer plasmons in separate and linked dimers of closed-shell electron clusters of 8 and 138 electrons using time-dependent density functional theory. The simple model clusters enable the systematic study of the charge transfer phenomenon from the electronic perspective. To identify the charge transfer plasmons, we have developed an index, the Charge Transfer Ratio, for quantifying the charge transfer nature of the excitations. In addition, we analyze the induced transition density and th…

Materials sciencePhysics::OpticsNanoparticle02 engineering and technologyElectronoptiset ominaisuudet010402 general chemistry01 natural sciencesChemical reactionPhysics::Atomic and Molecular Clusterscharge transfer plasmonsMathematics::Metric GeometryPhysical and Theoretical ChemistryPlasmonCondensed Matter::Quantum GasesIdeal (set theory)tiheysfunktionaaliteoriaCharge (physics)021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsplasmonitGeneral EnergyChemical physicsnanohiukkasetCondensed Matter::Strongly Correlated Electrons0210 nano-technologyMetal clustersThe Journal of Physical Chemistry C
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Density functional theory description of random Cu-Au alloys

2019

Density functional alloy theory is used to accurately describe the three core effects controlling the thermodynamics of random Cu-Au alloys. These three core effects are exchange correlation (XC), ...

Materials scienceta114tiheysfunktionaaliteoriaAlloyThermodynamics02 engineering and technologyengineering.materialelectronic structure021001 nanoscience & nanotechnology01 natural sciencesCore (optical fiber)Condensed Matter::Materials Sciencealloysfirst-principles calculations0103 physical sciencesengineeringDensity functional theorymetalliseokset010306 general physics0210 nano-technologyta116density functional theoryPhysical Review B
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Novel Methodologies to Model Charge Transport in Metal-Air Batteries

2018

Materials scienceta114tiheysfunktionaaliteoriaCharge (physics)akutGPAW codeMetalcharge transfer processesChemical physicsvisual_artvisual_art.visual_art_mediumrajapinnat (pinnat)Density functional theorysähkövarauscharge transport modelingrajapintailmiötta216ta116electrode potential formalismdensity functional theory
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Loomis-Whitney inequalities in Heisenberg groups

2021

This note concerns Loomis-Whitney inequalities in Heisenberg groups $\mathbb{H}^n$: $$|K| \lesssim \prod_{j=1}^{2n}|\pi_j(K)|^{\frac{n+1}{n(2n+1)}}, \qquad K \subset \mathbb{H}^n.$$ Here $\pi_{j}$, $j=1,\ldots,2n$, are the vertical Heisenberg projections to the hyperplanes $\{x_j=0\}$, respectively, and $|\cdot|$ refers to a natural Haar measure on either $\mathbb{H}^n$, or one of the hyperplanes. The Loomis-Whitney inequality in the first Heisenberg group $\mathbb{H}^1$ is a direct consequence of known $L^p$ improving properties of the standard Radon transform in $\mathbb{R}^2$. In this note, we show how the Loomis-Whitney inequalities in higher dimensional Heisenberg groups can be deduced…

Mathematics - Classical Analysis and ODEsSobolev inequalityClassical Analysis and ODEs (math.CA)FOS: Mathematicsmittateoria28A75 52C99 46E35 35R03isoperimetric inequalityepäyhtälötfunktionaalianalyysiLoomis–Whitney inequalityHeisenberg groupRadon transformmatemaattinen analyysi
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X-ray Tomography of One-forms with Partial Data

2021

If the integrals of a one-form over all lines meeting a small open set vanish and the form is closed in this set, then the one-form is exact in the whole Euclidean space. We obtain a unique continuation result for the normal operator of the X-ray transform of one-forms, and this leads to one of our two proofs of the partial data result. Our proofs apply to compactly supported covector-valued distributions.

Mathematics - Differential Geometry46F12 44A12 58A10Open set01 natural sciencesinversio-ongelmatintegraaliyhtälötSet (abstract data type)vector field tomographytomografiaFOS: MathematicsNormal operator0101 mathematicsMathematicsx-ray tomographyinverse problemsEuclidean spaceApplied MathematicsMathematical analysisInverse problemunique continuationnormal operatorFunctional Analysis (math.FA)Mathematics - Functional Analysis010101 applied mathematicsComputational MathematicsDifferential Geometry (math.DG)röntgenkuvausTomographyfunktionaalianalyysiAnalysisSIAM Journal on Mathematical Analysis
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Approximation by mappings with singular Hessian minors

2018

Let $\Omega\subset\mathbb R^n$ be a Lipschitz domain. Given $1\leq p<k\leq n$ and any $u\in W^{2,p}(\Omega)$ belonging to the little H\"older class $c^{1,\alpha}$, we construct a sequence $u_j$ in the same space with $\operatorname{rank}D^2u_j<k$ almost everywhere such that $u_j\to u$ in $C^{1,\alpha}$ and weakly in $W^{2,p}$. This result is in strong contrast with known regularity behavior of functions in $W^{2,p}$, $p\geq k$, satisfying the same rank inequality.

Mathematics - Differential GeometryHessian matrix35B99 46T10Monge-Ampère equationRank (differential topology)Space (mathematics)01 natural sciencesHessian minorssymbols.namesakeMathematics - Analysis of PDEsLipschitz domainFOS: MathematicsMathematics::Metric GeometryAlmost everywhere0101 mathematicsMathematicsosittaisdifferentiaaliyhtälötDiscrete mathematicsSequenceApplied Mathematicsta111010102 general mathematics16. Peace & justiceFunctional Analysis (math.FA)nonlinear approximationMathematics - Functional Analysis010101 applied mathematicsDifferential Geometry (math.DG)symbolsfunktionaalianalyysiAnalysisAnalysis of PDEs (math.AP)Nonlinear Analysis
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Infinitesimal Hilbertianity of Weighted Riemannian Manifolds

2018

AbstractThe main result of this paper is the following: anyweightedRiemannian manifold$(M,g,\unicode[STIX]{x1D707})$,i.e., a Riemannian manifold$(M,g)$endowed with a generic non-negative Radon measure$\unicode[STIX]{x1D707}$, isinfinitesimally Hilbertian, which means that its associated Sobolev space$W^{1,2}(M,g,\unicode[STIX]{x1D707})$is a Hilbert space.We actually prove a stronger result: the abstract tangent module (à la Gigli) associated with any weighted reversible Finsler manifold$(M,F,\unicode[STIX]{x1D707})$can be isometrically embedded into the space of all measurable sections of the tangent bundle of$M$that are$2$-integrable with respect to$\unicode[STIX]{x1D707}$.By following the…

Mathematics - Differential GeometryMathematics::Functional AnalysisPure mathematicsGeneral MathematicsInfinitesimal010102 general mathematicsRiemannian manifold01 natural sciencesSobolev spacedifferentiaaligeometriasymbols.namesakeDifferential Geometry (math.DG)0103 physical sciencesFOS: MathematicssymbolsMathematics::Metric Geometry53C23 46E35 58B20010307 mathematical physicsFinsler manifoldMathematics::Differential Geometry0101 mathematicsmonistotCarnot cyclefunktionaalianalyysiMathematics
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Universal infinitesimal Hilbertianity of sub-Riemannian manifolds

2019

We prove that sub-Riemannian manifolds are infinitesimally Hilbertian (i.e., the associated Sobolev space is Hilbert) when equipped with an arbitrary Radon measure. The result follows from an embedding of metric derivations into the space of square-integrable sections of the horizontal bundle, which we obtain on all weighted sub-Finsler manifolds. As an intermediate tool, of independent interest, we show that any sub-Finsler distance can be monotonically approximated from below by Finsler ones. All the results are obtained in the general setting of possibly rank-varying structures.

Mathematics - Differential GeometryMetric Geometry (math.MG)Sobolev spaceFunctional Analysis (math.FA)Mathematics - Functional AnalysisRiemannin monistotdifferentiaaligeometriasub-Finsler manifoldMathematics - Metric GeometryDifferential Geometry (math.DG)infinitesimal hilbertianityFOS: MathematicsMathematics::Metric Geometrysub-Riemannian manifoldMathematics::Differential GeometrymonistotfunktionaalianalyysiMathematics::Symplectic Geometry53C23 46E35 53C17 55R25Analysis
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Tensorization of quasi-Hilbertian Sobolev spaces

2022

The tensorization problem for Sobolev spaces asks for a characterization of how the Sobolev space on a product metric measure space $X\times Y$ can be determined from its factors. We show that two natural descriptions of the Sobolev space from the literature coincide, $W^{1,2}(X\times Y)=J^{1,2}(X,Y)$, thus settling the tensorization problem for Sobolev spaces in the case $p=2$, when $X$ and $Y$ are infinitesimally quasi-Hilbertian, i.e. the Sobolev space $W^{1,2}$ admits an equivalent renorming by a Dirichlet form. This class includes in particular metric measure spaces $X,Y$ of finite Hausdorff dimension as well as infinitesimally Hilbertian spaces. More generally for $p\in (1,\infty)$ we…

Mathematics - Differential Geometrymetric measure spacesDirichlet formsminimal upper gradientFunctional Analysis (math.FA)Mathematics - Functional Analysistensorization46E36 (Primary) 31C25 (Secondary)Differential Geometry (math.DG)Sobolev spacesFOS: Mathematicsanalysis on metric spacespotentiaaliteoriafunktionaalianalyysi
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Bi-Lipschitz invariance of planar BV- and W1,1-extension domains

2021

We prove that a bi-Lipschitz image of a planar $BV$-extension domain is also a $BV$-extension domain, and that a bi-Lipschitz image of a planar $W^{1,1}$-extension domain is again a $W^{1,1}$-extension domain.

Mathematics - Functional AnalysisMathematics - Classical Analysis and ODEsBV-extensionClassical Analysis and ODEs (math.CA)FOS: MathematicsSobolev extension46E35funktionaalianalyysiFunctional Analysis (math.FA)
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