Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations

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.     

A detailed study of the generation of optically detectable watermarks using the logistic map

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.     

Two modifications of the least cost per period heuristic for dynamic lot-sizing

This paper proposes two constructive heuristics for the well-known single-level uncapacitated dynamic lot-sizing problem. The proposed heuristics, called net least period cost (nLPC) and nLPC(i), are developed by modifying the average period cost concept from Silver and Meal's heuristic, commonly known as least period cost (LPC). An improved tie-breaking stopping rule and a locally optimal decision rule are proposed in the second heuristic to enhance performance. We test the effectiveness of the proposed heuristics by using 20 benchmarking test problems frequently used in the literature. Furthermore, we perform a large-scale simulation study involving three factors, 50 experimental conditions, and 100?000 randomly generated problems to evaluate the proposed heuristics against LPC and six other well-known constructive heuristics in the literature. The simulation results show that both nLPC and nLPC(i) produce average holding and setup costs lower than or equal to those of LPC in every one of the 50 experimental conditions. The proposed heuristics also outperform each of the six other heuristics evaluated in all experimental conditions, without an increase in computational requirements. Lastly, considering that both nLPC and nLPC(i) are fairly simple for practitioners to understand and that lot-sizing heuristics have been commonly used in practice, there should be a very good chance for practical applications of the proposed heuristics.     

Clifford Analysis Techniques for Spherical PDE

For a ? R\alpha \in \mathbf{R}, the class of a-\alpha -order spherical harmonic functions in an open set W í\Omega \subseteq S^n-1\mathbf{S}^{n-1}, H^a(W)H^{\alpha }(\Omega ) is defined as the C²-C^{2}-solutions of D_au=0\Delta _{\alpha }u=0; where D_a=D_s+a(n+a-2)\Delta _{\alpha }=\Delta _{s}+\alpha (n+\alpha -2) is the spherical Laplace--Beltrami operator of order a\alpha and D_s\Delta _{s} is the radially independent part of the Laplace operator. We obtain a Green's integral formula for the functions in H^a(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.     

Fuzzy convex sets in median algebras

The fuzzification of convex sets in median algebras is considered, and some of their properties are investigated. A characterization of finite valued fuzzy convex set is given.     

Derivation of fluorine-containing pyridine dicarboxylates. II. Elaboration at the 4-position

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 .     

cos πρ theorems for δ-subharmonic functions

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.