Ab initio calculation of hyperfine and superhyperfine interactions for shallow donors in semiconductors

For the shallow group V donors in Si we show that the hyperfine interaction for the donor nucleus and the superhyperfine interactions for the first five shells of Si ligands can be quite accurately calculated using the local spin-density approximation of the density-functional theory. We treat the impurity problem in a Green's function approach. Since we have to truncate the long-ranged part of the defect potential, we do not obtain a localized gap state. Instead we identify the resonance above the conduction band with the paramagnetic defect state. We show that the hf and shf interactions thus obtained are at least as accurate as those obtained from one-electron theories with fitting parameters. Application of this first principles method to other shallow donors could be an essential help in defect identification.     

F-18-FDG uptake is a reliable predictory of functional recovery of akinetic but viable infarct regions as defined by magnetic resonance imaging before and after revascularization

Identification of akinetic but viable myocardium is important for the selection of patients for coronary revascularization. In order to assess predictive values of end-diastolic wall thickness and dobutamine induced wall thickening obtained by magnetic resonance imaging (MRI) and [18F]Fluorodeoxyglucose uptake assessed by positron emission tomography (F-18-FDG-PET), these parameters were compared to recovery of left ventricular function after successful revascularization. Forty patients with chronic myocardial infarction and regional a- or dyskinesia by ventriculography underwent rest- and dobutamine-MRI studies (10 microg dobutamine/kg body weight/min) and F-18-FDG-PET. Viability of the infarct region was considered to be present if; 1) end-diastolic wall thickness was > or =5.5 mm; 2) dobutamine induced wall thickening > or =2 mm could be measured; and 3) normalized F-18-FDG-uptake was > or =50% in > or =50% of akinetic segments. Preserved end-diastolic wall thickness was found in 32/40 patients, functional improvement during dobutamine infusion in 26/40 patients and preserved F-18-FDG-uptake in 29/40 patients. After revascularization regional left ventricular function improved in 25/40 patients. Positive and negative predictive values and diagnostic accuracy were 78%, 100%, and 83% for preserved end-diastolic wall thickness, 92%, 93%, and 93% for dobutamine inducible contraction reserve and 86%, 100%, and 90% for preserved F-18-FDG-uptake. Quantitative assessment of dobutamine induced systolic wall thickening by MRI and F-18-FDG-uptake by PET are highly accurate techniques for the identification of viable myocardium and prediction of functional recovery after successful revascularization. Preserved end-diastolic wall thickness results in an overestimation of viable myocardium compared to functional improvement, but wall thickness <5.5 mm excludes recovery of regional function.     

Experimental observation of four-photon entanglement from parametric down-conversion

We observe polarization entanglement between four photons produced from a single down-conversion source. The nonclassical correlations between the measurement results violate a generalized Bell inequality for four qubits. The characteristic properties and its easy generation with high interferometric contrast make the observed four-photon state well suited for implementing advanced quantum communication schemes such as multiparty quantum key distribution, secret sharing, and telecloning.     

Structure of 1-Thia-closo-dodecaborane(11), 1-SB11H11, as determined by microwave spectroscopy complemented by quantum chemical calculations

The microwave spectrum of 1-thia-closo-dodecaborane(11), 1-SB(11)H(11), has been investigated in the 23-62 GHz spectral region. The molecule is found to have C(5v) symmetry. The spectra of several isotopomers have been assigned and a precise substitution structure of the non-hydrogen atoms has been determined. The structure is in quite good agreement with the one determined previously by electron diffraction. Density functional theory calculations at the B3LYP/cc-pVTZ level were found to predict a structure that is in good agreement with the substitution structure.     

On the Distribution of Power Residues and Primitive Elements in Some Nonlinear Recurring Sequences

It is shown that the method of estimation of exponential sumswith nonlinear recurring sequences, invented by the authorsin a recent series of works, can be applied to estimating sumsof multiplicative characters as well. As a consequence, resultsare obtained about the distribution of power residues and primitiveelements in such sequences. 2000 Mathematics Subject Classification11B37, 11L40 (primary), 11A07, 11A15, 11T24 (secondary).     

Unitals in Topological Affine Translation Planes Need Not Be Strictly Convex

We study the relationship of two incidence geometric convexity notions, namely, ovoids in real affine spaces and compact unitals of codimension 1 in topological affine translation planes. In [3] we showed that every ovoid in a translation plane is a unital, and we asked if the converse is true. Here we introduce the notion of a shell, which is distinctly weaker than that of an ovoid and still implies the unital property if the translation plane is properly chosen (and the shell is not too degenerate). We give an explicit example of a shell that is not an ovoid. The question remains whether or not conversely, every compact unital of codimension 1 in a translation plane is a shell.This paper was written while the third author was supported by a grant from DFG and TÜBITAK.Received March 12, 2002 Published online November 18, 2002     

The Existence of Good Extensible Polynomial Lattice Rules

Extensible (polynomial) lattice rules have been introduced recently and they are convenient tools for quasi-Monte Carlo integration. It is shown in this paper that for suitable infinite families of polynomial moduli there exist generating parameters for extensible rank-1 polynomial lattice rules such that for all these infinitely many moduli and all dimensions s the quantity R ^(s) and the star discrepancy are small. The case of Korobov-type polynomial lattice rules is also considered.     

Proper actions on cohomology manifolds

Essential results about actions of compact Lie groups on connected manifolds are generalized to proper actions of arbitrary groups on connected cohomology manifolds. Slices are replaced by certain fiber bundle structures on orbit neighborhoods. The group dimension is shown to be effectively finite. The orbits of maximal dimension form a dense open connected subset. If some orbit has codimension at most , then the group is effectively a Lie group.

     

Self-Orthogonal Compact Spreads and Unitals in Topological Translation Planes

A spread of is a set of l-dimensional subspaces L V partitioning V {0}. We construct examples of compact spreads that are identical with their sets of orthogonal spaces L . In the corresponding topological translation planes, every Euclidean sphere is a unital with the additional property that every point at infinity has flat feet.