Compactifications of discrete quantum groups

Given a discrete quantum group A we construct a certain Hopf *-algebra AP which is a unital *-subalgebra of the multiplier algebra of A. The structure maps for AP are inherited from M(A) and thus the construction yields a compactification of A which is analogous to the Bohr compactification of a locally compact group. This algebra has the expected universal property with respect to homomorphisms from multiplier Hopf algebras of compact type (and is therefore unique). This provides an easy proof of the fact that for a discrete quantum group with an infinite dimensional algebra the multiplier algebra is never a Hopf algebra

Flag varieties and interpretations of Young tableau algorithms

The conjugacy classes of nilpotent $n\times n$ matrices can be parametrised by partitions $\lambda$ of $n$, and for a nilpotent $\eta$ in the class parametrised by $\lambda$, the variety $F_\eta$ of $\eta$-stable flags has its irreducible components parametrised by the standard Young tableaux of shape $\lambda$. We indicate how several algorithmic constructions defined for Young tableaux have significance in this context, thus extending Steinberg's result that the relative position of flags generically chosen in the irreducible components of $F_\eta$ parametrised by tableaux $P$ and $Q$, is the permutation associated to $(P,Q)$ under the Robinson-Schensted correspondence. Other constructions for which we give interpretations are Sch\"utzenberger's involution of the set of Young tableaux, jeu de taquin (leading also to an interpretation of Littlewood-Richardson coefficients), and the transpose Robinson-Schensted correspondence (defined using column insertion). In each case we use a doubly indexed family of partitions, defined in terms of the flag (or pair of flags) determined by a point chosen in the variety under consideration. We show that for generic choices, the family satisfies certain combinatorial relations, whence the family describes the computation of the algorithmic operation being interpreted, as we described in a previous publication.Comment: 16 page

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

A study of the adsorption of CO on late 4d and $5d$ transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient corrected PBE and BLYP functional, and the corresponding hybrid Hartree-Fock density functionals HSE and B3LYP. We find that PBE based hybrid functionals (specifically HSE) yield, with the exception of Pt, the correct site order on all considered metals, but they also considerably overestimate the adsorption energies compared to experiment. On the other hand, the semi-local BLYP functional and the corresponding hybrid functional B3LYP yield very satisfactory adsorption energies and the correct adsorption site for all surfaces. We are thus faced with a Procrustean problem: the B3LYP and BLYP functionals seem to be the overall best choice for describing adsorption on metal surfaces, but they simultaneously fail to account well for the properties of the metal, vastly overestimating the equilibrium volume and underestimating the atomization energies. Setting out from these observations, general conclusions are drawn on the relative merits and drawbacks of various semi-local and hybrid functionals. The discussion includes a revised version of the PBE functional specifically optimized for bulk properties and surface energies (PBEsol), a revised version of the PBE functional specifically optimized to predict accurate adsorption energies (rPBE), as well as the aforementioned BLYP functional. We conclude that no semi-local functional is capable to describe all aspects properly, and including non-local exchange also only improves some, but worsens other properties.Comment: 12 pages, 6 figures; to be published in New Journal of Physic