Results 261 to 270 of about 22,752,852 (303)
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Analysis of Preconditioners for Domain Decomposition
SIAM Journal on Numerical Analysis, 1987This paper presents a simple model problem - Poisson's equation on a rectangle decomposed into two smaller rectangles - for which the capacitance system can be inverted exactly by fast Fourier transform. An exact eigen-decomposition of the capacitance matrix makes it possible to relate and compare the various preconditioners in the literature.
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WIREs Computational Molecular Science, 2011
AbstractThe energy decomposition analysis (EDA) is a powerful method for a quantitative interpretation of chemical bonds in terms of three major expressions. The instantaneous interaction energy ΔEintbetween two fragments A and B in a molecule A–B is partitioned in three terms, namely, (1) the quasiclassical electrostatic interaction ΔEelstatbetween ...
Moritz von Hopffgarten, Gernot Frenking
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AbstractThe energy decomposition analysis (EDA) is a powerful method for a quantitative interpretation of chemical bonds in terms of three major expressions. The instantaneous interaction energy ΔEintbetween two fragments A and B in a molecule A–B is partitioned in three terms, namely, (1) the quasiclassical electrostatic interaction ΔEelstatbetween ...
Moritz von Hopffgarten, Gernot Frenking
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A Componentwise Perturbation Analysis of the $QR$ Decomposition
SIAM Journal on Matrix Analysis and Applications, 1993A componentwise perturbation analysis of the QR decomposition is given. The bounds derived are invariant under column scaling of the underlying matrix. The results are applied to assess the accuracy of the computed QR decomposition using Householder transformations.
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WIREs Computational Molecular Science, 2017
The energy decomposition analysis (EDA) is a powerful method for a quantitative interpretation of chemical bonds in terms of three major components. The instantaneous interaction energy ΔEintbetween two fragments A and B in a molecule A–B is partitioned in three terms, namely (1) the quasiclassical electrostatic interaction ΔEelstatbetween the ...
Lili Zhao +3 more
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The energy decomposition analysis (EDA) is a powerful method for a quantitative interpretation of chemical bonds in terms of three major components. The instantaneous interaction energy ΔEintbetween two fragments A and B in a molecule A–B is partitioned in three terms, namely (1) the quasiclassical electrostatic interaction ΔEelstatbetween the ...
Lili Zhao +3 more
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Multi-objectivization Via Decomposition: An analysis of helper-objectives and complete decomposition
European Journal of Operational Research, 2015zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Darrell F. Lochtefeld, Frank W. Ciarallo
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Autonomous behaviours decomposition and modal analysis
International Journal of Control, 2001In this paper, the notions of simple, very simple and indecomposable autonomous behaviour are introduced and characterized. By resorting to some recent results about the direct sum decomposition of (linear, time-invariant, differential) behaviours (Bisiacco and Valcher 2001), as well as to the well-known primary decomposition theorem for finitely ...
BISIACCO, MAURO, VALCHER, MARIA ELENA
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Energy decomposition analysis in an adiabatic picture
Phys. Chem. Chem. Phys., 2017Energy decomposition analysis (EDA) of electronic structure calculations has facilitated quantitative understanding of diverse intermolecular interactions. Nevertheless, such analyses are usually performed at a single geometry and thus decompose a "single-point" interaction energy.
Yuezhi Mao +2 more
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Decomposition Analysis of Segregation
Sociological Methodology, 2017Although substantive studies on segregation, such as residential or school segregation by race and occupational segregation by gender, are many in sociology, the analytical methodology is almost exclusively focused on measurement issues. The author introduces a set of two statistical models for the decomposition analysis of segregation.
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Supercomputer workload decomposition and analysis
Proceedings of the 5th international conference on Supercomputing - ICS '91, 1991David K. Bradley +5 more
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Spatial‐Decomposition Analysis of Electrical Conductivity
The Chemical Record, 2018AbstractSpatial decomposition is conducted for the electrical conductivity. The contribution per ion pair at a certain distance is identified in terms of a two‐body velocity time correlation function and is integrated over the whole distance of the ion pair to provide the cross‐correlation term of the conductivity.
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