An Efficient Method of Determining Diffusion Coefficients Using Eigenfunction Expansions
نویسندگان
چکیده
منابع مشابه
An Efficient Method of Determining Diffusion Coefficients Using Eigenfunction Expansions
A method using eigenfunction expansions has been implemented to determine the diffusion coefficients of electroactive species. The method has been successfully applied to the process of single-electron oxidation of N,N,N′,N′-tetramethyl-p-phenylenediamine (TMPD). The results obtained by the method agree very well with those from the well established finite difference algorithm and are more reli...
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We present a simplified theory of generalized eigenfunction expansions for a commuting family of bounded operators and with finitely many unbounded operators. We also study the convergence of these expansions, giving an abstract type of uniform convergence result, and illustrate the theory by giving two examples: The Fourier transform on Hecke operators, and the Laplacian operators in hyperboli...
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Generalized eigenfunctions may be regarded as vectors of a basis in a particular direct integral of Hilbert spaces or as elements of the antidual space Φ× in a convenient Gelfand triplet Φ ⊆ H ⊆ Φ×. This work presents a fit treatment for computational purposes of transformations formulas relating different generalized bases of eigenfunctions in both frameworks direct integrals and Gelfand tripl...
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In this paper we give a global characterisation of classes of ultradifferentiable functions and corresponding ultradistributions on a compact manifold X. The characterisation is given in terms of the eigenfunction expansion of an elliptic operator on X. This extends the result for analytic functions on compact manifold by Seeley [See69], and the characterisation of Gevrey functions and Gevrey u...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Computer Sciences
سال: 1997
ISSN: 0095-2338
DOI: 10.1021/ci9604652