Search results for "Eigenvalues"

showing 5 items of 315 documents

Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory An Efficient Tool for Analyzing Plasmonic Excitations

2017

The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles. Compared to the widely adopted linear-response TDDFT approaches based on, e.g., the Casida equations, RT-TDDFT appears, however, lacking efficient analysis methods. This applies in particular to a decomposition of the response in the basis of the underlying single-electron states. In this work, we overcome this limitation by developing an analysis method for obtaining the Kohn-Sham electron-hole decomposition in RT-TDDFT. We demonstrate the equivalence between the developed method and the Casida approach by a be…

plasmonic excitationsTheoretical computer scienceKohn-Sham decompositionComputer scienceta221Kohn–Sham equationsFOS: Physical sciencesPhysics::Optics02 engineering and technology01 natural sciencesPhysics - Chemical Physics0103 physical sciencesMesoscale and Nanoscale Physics (cond-mat.mes-hall)Decomposition (computer science)Physics::Atomic and Molecular ClustersStatistical physicsPhysical and Theoretical ChemistryPhysics::Chemical Physics010306 general physicsta116PlasmonEigenvalues and eigenvectorsChemical Physics (physics.chem-ph)Condensed Matter - Materials ScienceCondensed Matter - Mesoscale and Nanoscale Physicsta114tiheysfunktionaaliteoriaMaterials Science (cond-mat.mtrl-sci)Time-dependent density functional theory16. Peace & justice021001 nanoscience & nanotechnologyComputer Science ApplicationsplasmonitBenzene derivativesnanohiukkaset0210 nano-technologyJOURNAL OF CHEMICAL THEORY AND COMPUTATION
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On the spectrum of semi-classical Witten-Laplacians and Schrödinger operators in large dimension

2005

We investigate the low-lying spectrum of Witten–Laplacians on forms of arbitrary degree in the semi-classical limit and uniformly in the space dimension. We show that under suitable assumptions implying that the phase function has a unique local minimum one obtains a number of clusters of discrete eigenvalues at the bottom of the spectrum. Moreover, we are able to count the number of eigenvalues in each cluster. We apply our results to certain sequences of Schrodinger operators having strictly convex potentials and show that some well-known results of semi-classical analysis hold also uniformly in the dimension.

symbols.namesakeDimension (vector space)Degree (graph theory)Mathematical analysisSpectrum (functional analysis)Thermodynamic limitsymbolsLimit (mathematics)Convex functionAnalysisEigenvalues and eigenvectorsSchrödinger's catMathematicsJournal of Functional Analysis
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On Stability of a Concentrated Fiber Suspension Flow

2014

Linear stability analysis of a fiber suspension flow in a channel domain is performed using a modified Folgar-Tucker equation. Two kinds of potential instability are identified: one is associated with overcritical Reynolds number and another is associated with certain perturbations in fiber orientation field and is present for any Reynolds numbers. The second type of instability leads to initially growing transient perturbations in the microstructure. It is shown that both types of instability lead to instability of the bulk velocity field. As for the perturbed Orr-Sommerfeld eigenvalues, the presence of fibers increases the stability region; the stability region increases with growing C i …

symbols.namesakeMaterials scienceField (physics)Flow (psychology)symbolsReynolds numberMechanicsTransient (oscillation)MicrostructureStability (probability)InstabilityEigenvalues and eigenvectors
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Distribution of Large Eigenvalues for Elliptic Operators

2019

In this chapter we consider elliptic differential operators on a compact manifold and rather than taking the semi-classical limit (h →), we let h = 1 and study the distribution of large eigenvalues. Bordeaux Montrieux (Loi de Weyl presque sure et resolvante pour des operateurs differentiels non-autoadjoints, these, CMLS, Ecole Polytechnique, 2008. https://pastel.archives-ouvertes.fr/pastel-00005367, Ann Henri Poincare 12:173–204, 2011) studied elliptic systems of differential operators on S1 with random perturbations of the coefficients, and under some additional assumptions, he showed that the large eigenvalues obey the Weyl law almost surely. His analysis was based on a reduction to the s…

symbols.namesakePure mathematicsElliptic operatorDistribution (mathematics)Weyl lawPoincaré conjecturesymbolsAlmost surelyDifferential operatorEigenvalues and eigenvectorsManifoldMathematics
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Computing the Trace

2001

So far we have been interested in the general expression for the WKB-propagation function. Now we turn our attention to the trace of that propagator, since we want to exhibit the energy eigenvalues of a given potential. From earlier discussions we know that the energy levels of a given Hamiltonian are provided by the poles of the Green’s function:

symbols.namesakeTheoretical physicsComputer sciencesymbolsPropagatorStationary phase approximationGeneral expressionHamiltonian (quantum mechanics)Eigenvalues and eigenvectors
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