Local polarizabilities in molecules,based on ab initio Hartree-Fock calculations

A method to separate the total molecular polarizability, calculated in the uncoupled Hartree-Fock approximations, into local contributions is proposed. The method is tested for H₂, H₂O, H₂CO and C₆H₆ and the results are discussed. It is found that the ratio of the polarizability contributions for two atoms in a molecule almost only depends on the type of atoms and is almost independant of molecule.     

Covering homology

We introduce the notion of covering homology of a commutative S-algebra with respect to certain families of coverings of topological spaces. The construction of covering homology is extracted from Bökstedt, Hsiang and Madsen's topological cyclic homology. In fact covering homology with respect to the family of orientation preserving isogenies of the circle is equal to topological cyclic homology. Our basic tool for the analysis of covering homology is a cofibration sequence involving homotopy orbits and a restriction map similar to the restriction map used in Bökstedt, Hsiang and Madsen's construction of topological cyclic homology.Covering homology with respect to families of isogenies of a torus is constructed from iterated topological Hochschild homology. It receives a trace map from iterated algebraic K-theory and there is a hope that the rich structure, and the calculability of covering homology will make it useful in the exploration of J. Rognes' “red shift conjecture”.     

On certainp-harmonic functions in the plane

A representation theorem is given for certainp-harmonic functions (1<p<) in the plane, near a corner of the domain of definition. The proof uses stream functions and the hodograph transformation. The stream function of ap-harmonic function isp-harmonic, where 1/p+1/p=1. Solutions of the formr ^k f(ø) (polar coord.) are crucial for the representation.     

Convergent iterative schemes for time parallelization

Parallel methods are usually not applied to the time domain because of the inherit sequentialness of time evolution. But for many evolutionary problems, computer simulation can benefit substantially from time parallelization methods. In this paper, we present several such algorithms that actually exploit the sequential nature of time evolution through a predictor-corrector procedure. This sequentialness ensures convergence of a parallel predictor-corrector scheme within a fixed number of iterations. The performance of these novel algorithms, which are derived from the classical alternating Schwarz method, are illustrated through several numerical examples using the reservoir simulator Athena.

     

Miniaturized highly brilliant diode laser modules for future display applications

We demonstrate diode laser modules with high spectral radiance larger than 1 GW/cm²/sr/nm in the visible spectral range. These highly brilliant laser light sources enable the development of next-generation 3D displays. About 1W output power from small-sized modules was achieved at 635 nm by direct diode laser emission and at 530 nm using single pass second harmonic generation (SHG) of a highly brilliant near-infrared laser diode.