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1.
2.
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
3.
We study the expected delay in cyclic polling models with general ‘branching-type’ service disciplines. For this class of
models, which contains models with exhaustive and gated service as special cases, we obtain closed-form expressions for the
expected delay under standard heavy-traffic scalings. We identify a single parameter associated with the service discipline
at each queue, which we call the ‘exhaustiveness’. We show that the scaled expected delay figures depend on the service policies
at the queues only through the exhaustiveness of each of the service disciplines. This implies that the influence of different
service disciplines, but with the same exhaustiveness, on the expected delays at the queues becomes the same when the system
reaches saturation. This observation leads to a new classification of the service disciplines. In addition, we show monotonicity
of the scaled expected delays with respect to the exhaustiveness of the service disciplines. This induces a complete ordering
in terms of efficiency of the service disciplines. The results also lead to new rules for optimization of the system performance
with respect to the service disciplines at the queues. Further, the exact asymptotic results suggest simple expected waiting-time
approximations for polling models in heavy traffic. Numerical experiments show that the accuracy of the approximations is
excellent for practical heavy-traffic scenarios.
This revised version was published online in June 2006 with corrections to the Cover Date. 相似文献
4.
5.
Let G be a finite group. A complete Sylow product of G is a product of Sylow subgroups of G, one for each prime divisor of |G|. We shall call G a Sylow factorizable group if it is equal to at least one of its complete Sylow products. We prove that if G is a Sylow factorizable group then the
intersection of all complete Sylow products of G is equal to the solvable radical of G. We generalize the concepts and the result to Sylow products which involve an arbitrary subset of the prime divisors of |G|.
Received: 26 January 2005 相似文献
6.
Adam B. Levy 《Mathematical Programming》2007,110(3):615-639
Numerical methods for solving constrained optimization problems need to incorporate the constraints in a manner that satisfies
essentially competing interests; the incorporation needs to be simple enough that the solution method is tractable, yet complex
enough to ensure the validity of the ultimate solution. We introduce a framework for constraint incorporation that identifies
a minimal acceptable level of complexity and defines two basic types of constraint incorporation which (with combinations)
cover nearly all popular numerical methods for constrained optimization, including trust region methods, penalty methods,
barrier methods, penalty-multiplier methods, and sequential quadratic programming methods. The broad application of our framework
relies on addition and chain rules for constraint incorporation which we develop here. 相似文献
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8.
Inhibition of the reduction of Cr(VI) at the magnetite–water interface by calcium carbonate coatings
The effect of calcium carbonate coatings on the reduction of aqueous chromate on the magnetite(1 1 1) surface has been investigated using a combination of synchrotron based X-ray photoemission spectroscopy (PES) and X-ray absorption near edge structure (XANES) spectroscopy, along with laboratory-based powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). CaCO3 coatings (dominantly calcite with minor quantities of aragonite and vaterite) of thicknesses ranging from 10 Å to 20 m were grown on magnetite(1 1 1) surfaces by exposure to supersaturated aqueous solutions followed by evaporation of the solution—a process that mimics pore-water evaporation in vadose zones leading to the formation of caliche and calcium carbonate coatings on mineral grains. Coating thicknesses were determined from attenuation of the Fe 2p photoemission signal by the carbonate coating. For coatings less than 15 Å thick, Cr 2p photoemission and Cr LII, LIII-edge XANES spectra show that chromate is reduced by the underlying magnetite surface; however, as the minimum coating thickness increases beyond 15 Å, the magnetite surface becomes passivated and further chromate reduction ceases. Our findings suggest that carbonate coatings on natural magnetite grains can significantly reduce or eliminate their ability to reduce Cr(VI), which is a toxic and highly mobile environmental contaminant. 相似文献
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10.
Raymond G. Plevey Richard W. Rendell John Colin Tatlow 《Journal of fluorine chemistry》1982,21(2):159-169
Pyridine has been fluorinated over caesium tetrafluorocobaltate(III) (CsCoIIIF4) at 300–400°C to give a mixture of undecafluoro-N-methylpyrrolidine, bis(trifluoromethyl)amine, pentafluoropyridine and several polyfluoropyridines; the product composition depended to some extent on the geometry of the reactor. The fluorinations of pentafluoropyridine, piperidine and undecafluoropiperidine were also investigated. 相似文献