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A set of exact conditions is compiled for the purpose of developing and testing approximations for the exchange-correlation energy as a functional of the electron density. Special emphasis is placed upon recently developed density-scaling relationships. Commonly used generalized gradient approximations are compared against several of these conditions. A direct tabular comparison of these functionals (not of calculated properties) with one another is also made. © 1994 John Wiley & Sons, Inc. 相似文献
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Aidan Mooney John G. Keating Daniel M. Heffernan 《Chaos, solitons, and fractals》2006,30(5):1088-1097
A digital watermark is a visible, or preferably invisible, identification code that is permanently embedded in digital media, to prove owner authentication and provide protection for documents. Given the interest in watermark generation using chaotic functions a detailed study of one chaotic function for this purpose is performed. In this paper, we present an approach for the generation of watermarks using the logistic map. Using this function, in conjunction with seed management, it is possible to generate chaotic sequences that may be used to create highpass or lowpass digital watermarks. In this paper we provide a detailed study on the generation of optically detectable watermarks and we provide some guidelines on successful chaotic watermark generation using the logistic map, and show using a recently published scheme, how care must be taken in the selection of the function seed. 相似文献
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For a ? R\alpha \in \mathbf{R}, the class of a-\alpha -order spherical harmonic functions in an open set W í\Omega \subseteq Sn-1\mathbf{S}^{n-1}, Ha(W)H^{\alpha }(\Omega ) is defined as the C2-C^{2}-solutions of Dau=0\Delta _{\alpha }u=0; where Da=Ds+a(n+a-2)\Delta _{\alpha }=\Delta _{s}+\alpha (n+\alpha -2) is the spherical Laplace--Beltrami operator of order a\alpha and Ds\Delta _{s} is the radially independent part of the Laplace operator. We obtain a Green's integral formula for the functions in Ha(W)H^{\alpha }(\Omega ) with kernel expressed as a Gegenbauer function. As generalizations, higher order spherical iterated Dirac operators are defined in a polynomial form. Integral representations of the null solutions to these operators and an intertwining formula relating these operators on the sphere and their analogues in Euclidean space are presented. 相似文献
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In response to the bio-activity found in fluorine-containing 4-alkyl-3, 5-pyridinedicarboxylates, a series of novel 4-substituted derivatives, not directly available by Hantzsch sequences, were prepared. Starting 4-alkylpyridines, 1 , were converted via enamine 2 to materials 3–8 . Derivatives 9–16 in turn were derived from aldehyde 3 , while acid derivatives 28–36 were prepared from 14 . Addition of oxygen, sulfur, and carbenoids effected conversion of 4-allylpyridine 16 to epoxy and cyclopropyl derivative 16–22 . A number of neighboring group effects were noted, including those forming the fused-ring systems 23-27 . 相似文献
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Abstract. We propose a general approach to deal with nonlinear, nonconvex variational problems based on a reformulation of the problem
resulting in an optimization problem with linear cost functional and convex constraints. As a first step we explicitly explore
these ideas to some one-dimensional variational problems and obtain specific conclusions of an analytical and numerical nature. 相似文献
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For ϕ a δ-subharmonic function, sharp results are obtained that connectA(r, ϕ), B(r, ϕ) andT(r, ϕ), whereA(r, ϕ)=inf|z|=r
ϕ(z),B(r, ϕ)=sup|z|=r
ϕ(z), andT(r, ϕ) is the Nevanlinna characteristics. 相似文献
10.
Ana Luísa Daniel‐da‐Silva João Carlos Moura Bordado José Miguel Martín‐Martínez 《Journal of Polymer Science.Polymer Physics》2007,45(22):3034-3045
The degree of phase separation in several moisture‐cured poly(urethane urea)s (PUUs) was studied by FTIR spectroscopy, wide angle X‐ray diffraction (WAXD), and temperature‐modulated differential scanning calorimetry (TMDSC). This latter technique was shown to be particularly useful in analysing the degree of phase separation in PUU polymers. Both phase mixing and phase segregation coexisted in the PUUs and the degree of phase separation increased as the urea hard segment (HS) content in the PUU increased. The maximum solubility of urea HSs into the polyol soft segments (SSs) was achieved for 50 wt % urea HS content in diol‐based PUUs, whereas for triol‐based PUUs the highest solubility between HS and SS was reached for lower urea HS amount. Finally, the higher the urea HS content the higher the extent of phase separation in the PUU. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 3034–3045, 2007 相似文献