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.     

Ultraslow phonon-assisted collapse of tubular image states

We predict ultraslow collapse of “tubular image states” (TIS) on material surfaces. TIS are bound Rydberg-like electronic states formed at large distances (∼30 nm) from the surfaces of suspended circularly-symmetric nanowires, such as metallic C nanotubes. The states are formed in potential wells, resulting from a combination of the TIS-electron attraction to image charges in the nanotube and its centrifugal repulsion, caused by spinning around the tube. We demonstrate that TIS can collapse on the tube surface by passing their angular momentum l to circularly polarized flexural phonons excited in the tube. Our analysis shows that for highly detached TIS with l ? 6 the relaxation lifetimes are of the order of 10 ns-1 μs, while for l < 6 these lifetimes are reduced by several orders of magnitude.     

The boundary trace and generalized boundary value problem for semilinear elliptic equations with coercive absorption

In the first part of the paper we establish the existence of a boundary trace for positive solutions of the equation ?Δu + g(x, u) = 0 in a smooth domain Ω ? ?^N, for a general class of positive nonlinearities. This class includes every space independent, monotone increasing g which satisfies the Keller‐Osserman condition as well as degenerate nonlinearities g_α,q of the form g_α,q (x, u) = d(x, ?Ω)^α |u|^q?1 u, with α > ?2 and q > 1. The boundary trace is given by a positive regular Borel measure which may blow up on compact sets. In the second part we concentrate on the family of nonlinearities {g_α,q}, determine the critical value of the exponent q (for fixed α > ?2) and discuss (a) positive solutions with an isolated singularity, for subcritical nonlinearities and (b) the boundary value problem for ?Δu + g_α,q (x, u) = 0 with boundary data given by a positive regular Borel measure (possibly unbounded). We show that, in the subcritical case, the problem possesses a unique solution for every such measure. © 2003 Wiley Periodicals, Inc.     

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.     

Information recovery from black holes

We argue that if black hole entropy arises from a finite number of underlying quantum states, then any particular such state can be identified from infinity. The finite density of states implies a discrete energy spectrum, and, in general, such spectra are non-degenerate except as determined by symmetries. Therefore, knowledge of the precise energy, and of other commuting conserved charges, determines the quantum state. In a gravitating theory, all conserved charges including the energy are given by boundary terms that can be measured at infinity. Thus, within any theory of quantum gravity, no information can be lost in black holes with a finite number of states. However, identifying the state of a black hole from infinity requires measurements with Planck scale precision. Hence observers with insufficient resolution will experience information loss. First Award in the 2006 Essay Competition of the Gravity Research Foundation.     

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     

Solving a class of multiplicative programming problems via c-programming

In this note we show that many classes of global optimization problems can be treated most satisfactorily by classical optimization theory and conventional algorithms. We focus on the class of problems involving the minimization of the product of several convex functions on a convex set which was studied recently by Kunoet al. [3]. It is shown that these problems are typical composite concave programming problems and thus can be handled elegantly by c-programming [4]–[8] and its techniques.     

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.     

TGF-β1 induction of the adenine nucleotide translocator 1 in astrocytes occurs through Smads and Sp1 transcription factors

Background  

The adenine nucleotide translocator 1 (Ant1) is an inner mitochondrial membrane protein involved with energy mobilization during oxidative phosphorylation. We recently showed that rodent Ant1 is upregulated by transforming growth factor-beta (TGF-β) in reactive astrocytes following CNS injury. In the present study, we describe the molecular mechanisms by which TGF-β1 regulates Ant1 gene expression in cultured primary rodent astrocytes.