Regularity of the category of Kelley spaces

We show that the cartesian closed category of compactly generated Hausdorff spaces is regular, but is neither exact, nor locally cartesian closed. In fact we find a coequalizer of an equivalence relation which is not stable under pullback.     

The effects of oxygenation on the optical properties of dimethyl-dithienothiophenes: comparison between experiments and first-principles calculations

Modifications of the optical properties of dimethyl-dithienothiophenes due to the oxygen functionalization of the central sulfur atom are investigated. We have measured the absorption, photoluminescence (PL) and PL excitation spectra, the PL quantum efficiencies, and the PL decay times. These experimental results are interpreted and compared with first-principles time-dependent density-functional theory calculations, which predict, for the considered systems, excitation and emission energies with an accuracy of 0.1 eV. It is found that the oxygenation strongly changes optical and photophysical properties. These effects are related to the modifications of the energetically lowest-unoccupied molecular orbital and the energetically second highest occupied one, which change the relative position of the two lowest singlet and triplet excited states.     

Enantioselective metallo-organocatalyzed preparation of cyclopentanes bearing an all-carbon quaternary stereocenter

Enantioselective metallo-organocatalyzed carbocyclizations of formyl-alkynes have been developed. The cooperation between aminocatalysis and a chiral copper(I) complex granted access to enantio-enriched cyclopentanes through the challenging formation of all-carbon quaternary stereocenters.     

Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states

An effective exact-exchange Kohn-Sham approach for the treatment of excited electronic states, the generalized adiabatic connection open-shell localized Hartree-Fock (GAC-OSLHF) method is presented. The GAC-OSLHF method is based on the generalized adiabatic connection Kohn-Sham formalism and therefore capable of treating excited electronic states, which are not the energetically lowest of their symmetry. The method is self-interaction free and allows for a fully self-consistent computation of excited valence as well as Rydberg states. Results for atoms and small- and medium-size molecules are presented and compared to restricted open-shell Hartree-Fock (ROHF) and time-dependent density-functional results as well as to experimental data. While GAC-OSLHF and ROHF results are quite close to each other, the GAC-OSLHF method shows a much better convergence behavior. Moreover, the GAC-OSLHF method as a Kohn-Sham method, in contrast to the ROHF approach, represents a framework which allows also for a treatment of correlation besides an exchange by appropriate functionals. In contrast to the common time-dependent density-functional methods, the GAC-OSLHF approach is capable of treating doubly or multiply excited states and can be easily applied to molecules with an open-shell ground state. On the nodal planes of the energetically highest occupied orbital, the local multiplicative GAC-OSLHF exchange potential asymptotically approaches a different, i.e., nonzero, value than in other regions, an asymptotic behavior which is known from exact Kohn-Sham exchange potentials of ground states of molecules.     

Minkowski iteration of sets

The Minkowski addition, ⊕, is a natural generalization of vector addition. However, ⊕ and scalar multiplication do not follow all the usual laws of vector space operations. This is reflected upon the properties of a new operation, °, which maps vector sets into vector sets. The study of a linear iterative process (with ° acting recurrently on vector sets) brings out the outstanding value of vector balls and convex hulls for obtaining explicit solutions or bounds.     

Upper limits on gravitational-wave emission in association with the 27 Dec 2004 giant flare of SGR1806-20

At the time when the giant flare of SGR1806-20 occurred, the AURIGA "bar" gravitational-wave (GW) detector was on the air with a noise performance close to stationary Gaussian. This allows us to set relevant upper limits, at a number of frequencies in the vicinities of 900 Hz, on the amplitude of the damped GW wave trains, which, according to current models, could have been emitted, due to the excitation of normal modes of the star associated with the peak in x-ray luminosity.