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.     

Fabrication and characterization of a PbTe quantum dots multilayer structure

Multilayer PbTe quantum dots (QDs) and SiO₂ were grown by pulsed laser deposition (PLD) and Plasma enhanced chemical vapor deposition (PECVD) techniques. The crystalline structure, QD size and size dispersion were observed by high-resolution transmission electron microscopy (HRTEM) measurements. This technique allows one to grow PbTe QDs as small as 1.8 nm diameter and 0.6 nm size dispersion. The whole structure can be used in a Fabry–Perot cavity for an optical device operating at the mid-infrared region.     

The Translation Invariant Massive Nelson Model: I. The Bottom of the Spectrum

In this paper we analyze the bottom of the energy-momentum spectrum of the translation invariant Nelson model, describing one electron linearly coupled to a second quantized massive scalar field. Our results are valid for all values of the coupling constant and include an HVZ theorem, non-degeneracy of ground states, existence of isolated groundstates in dimensions 1 and 2, non-existence of ground states embedded in the bottom of the essential spectrum in dimensions 3 and 4, (i.e., at total momenta where no isolated groundstate eigenvalue exists), and we study regularity and monotonicity properties of the bottom of the essential spectrum, as a function of total momentum. Communicated by Joel Feldman submitted 04/11/04, accepted 17/02/05     

Polling systems in heavy traffic: Exhaustiveness of service policies

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.     

On Rado's Boundedness Conjecture

We prove that Rado's Boundedness Conjecture from Richard Rado's 1933 famous dissertation Studien zur Kombinatorik is true if it is true for homogeneous equations. We then prove the first nontrivial case of Rado's Boundedness Conjecture: if a₁,a₂, and a₃ are integers, and if for every 24-coloring of the positive integers (or even the nonzero rational numbers) there is a monochromatic solution to the equation a₁x₁+a₂x₂+a₃x₃=0, then for every finite coloring of the positive integers there is a monochromatic solution to a₁x₁+a₂x₂+a₃x₃=0.     

The solvable radical of Sylow factorizable groups

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     

Rhythmic pattern formations in gels and Matalon—Packter law: A fresh perspective

The periodic precipitation pattern formation in gelatinous media is interpreted as a moving boundary problem. The time law, spacing law and width law are revisited on the basis of the new scenario. The explicit dependence of the geometric structure on the initial concentrations of the reactants is derived. Matalon—Packter law, which relates the spacing coefficient with the initial concentrations is reformulated removing many ambiguities and impractical parameters. Experimental results are discussed to establish the significance of moving boundary concept in the diffusion controlled pattern forming systems     

Constraint incorporation in optimization

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.