Cause of the charge radius isotope shift at the \emph{N}=126 shell gap

We discuss the mechanism causing the `kink' in the charge radius isotope shift at the N=126 shell closure. The occupation of the 1$i_{11/2}$ neutron orbital is the decisive factor for reproducing the experimentally observed kink. We investigate whether this orbital is occupied or not by different Skyrme effective interactions as neutrons are added above the shell closure. Our results demonstrate that several factors can cause an appreciable occupation of the 1$i_{11/2}$ neutron orbital, including the magnitude of the spin-orbit field, and the isoscalar effective mass of the Skyrme interaction. The symmetry energy of the effective interaction has little influence upon its ability to reproduce the kink.Comment: 4 pages, 4 figures, to be submitted to proceedings of INPC 201

Shapes and Dynamics from the Time-Dependent Mean Field

Explaining observed properties in terms of underlying shape degrees of freedom is a well--established prism with which to understand atomic nuclei. Self--consistent mean--field models provide one tool to understand nuclear shapes, and their link to other nuclear properties and observables. We present examples of how the time--dependent extension of the mean--field approach can be used in particular to shed light on nuclear shape properties, particularly looking at the giant resonances built on deformed nuclear ground states, and at dynamics in highly-deformed fission isomers. Example calculations are shown of $^{28}$Si in the first case, and $^{240}$Pu in the latter case.Comment: 9 pages, 5 figures, to appear in proceedings of International Workshop "Shapes and Dynamics of Atomic Nuclei: Contemporary Aspects" (SDANCA-15), 8-10 October 2015, Sofia, Bulgari

Why is lead so kinky?

We revisit the problem of the kink in the charge radius shift of neutron-rich even lead isotopes. We show that the ability of a Skyrme force to reproduce the isotope shift is determined by the occupation of the neutron 1i11/2 orbital beyond N=126 and the corresponding change it causes to deeply-bound protons orbitals with a principal quantum number of 1. Given the observed position of the single-particle energies, one must either ensure occupation is allowed through correlations, or not demand that the single-particle energies agree with experimental values at the mean-field level.Comment: 5 pages, 5 figure

Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives

Traditional rhodium carbene chemistry relies on the controlled decomposition of diazo derivatives with [Rh2(OAc)4] or related dinuclear Rh(+2) complexes, whereas the use of other rhodium sources is much less developed. It is now shown that half-sandwich carbene species derived from [Cp*MX2]2 (M = Rh, Ir; X = Cl, Br, I, Cp* = pentamethylcyclopentadienyl) also exhibit favorable application profiles. Interestingly, the anionic ligand X proved to be a critical determinant of reactivity in the case of cyclopropanation, epoxide formation and the previously unknown catalytic metathesis of azobenzene derivatives, whereas the nature of X does not play any significant role in −OH insertion reactions. This perplexing disparity can be explained on the basis of spectral and crystallographic data of a representative set of carbene complexes of this type, which could be isolated despite their pronounced electrophilicity. Specifically, the donor/acceptor carbene 10a derived from ArC(═N2)COOMe and [Cp*RhCl2]2 undergoes spontaneous 1,2-migratory insertion of the emerging carbene unit into the Rh–Cl bond with formation of the C-metalated rhodium enolate 11. In contrast, the analogous complexes 10b,c derived from [Cp*RhX2]2 (X = Br, I) as well as the iridium species 13 and 14 derived from [Cp*IrCl2]2 are sufficiently stable and allow true carbene reactivity to be harnessed. These complexes are competent intermediates for the catalytic metathesis of azobenzene derivatives, which provides access to α-imino esters that would be difficult to make otherwise. Rather than involving metal nitrenes, the reaction proceeds via aza-ylides that evolve into diaziridines; a metastable compound of this type has been fully characterized

Foliation of the Kottler-Schwarzschild-De Sitter Spacetime by Flat Spacelike Hypersurfaces

There exist Kruskal like coordinates for the Reissner-Nordstrom (RN) black hole spacetime which are regular at coordinate singularities. Non existence of such coordinates for the extreme RN black hole spacetime has already been shown. Also the Carter coordinates available for the extreme case are not manifestly regular at the coordinate singularity, therefore, a numerical procedure was developed to obtain free fall geodesics and flat foliation for the extreme RN black hole spacetime. The Kottler-Schwarzschild-de Sitter (KSSdS) spacetime geometry is similar to the RN geometry in the sense that, like the RN case, there exist non-singular coordinates when there are two distinct coordinate singularities. There are no manifestly regular coordinates for the extreme KSSdS case. In this paper foliation of all the cases of the KSSdS spacetime by flat spacelike hypersurfaces is obtained by introducing a non-singular time coordinate.Comment: 12 pages, 4 figure

Explicit Construction of Spin 4 Casimir Operator in the Coset Model SO^(5)1×SO^(5)m/SO^(5)1+m \hat{SO} (5)_{1} \times \hat{SO} (5)_{m} / \hat{SO} (5)_{1+m}

We generalize the Goddard-Kent-Olive (GKO) coset construction to the dimension 5/2 operator for $\hat{so} (5)$ and compute the fourth order Casimir invariant in the coset model $\hat{SO} (5)_{1} \times \hat{SO} (5)_{m} / \hat{SO} (5)_{1+m}$ with the generic unitary minimal $c < 5/2$ series that can be viewed as perturbations of the $m \rightarrow \infty$ limit, which has been investigated previously in the realization of $c= 5/2$ free fermion model.Comment: 11 page

Interacting Electrons and Localized Spins: Exact Results from Conformal Field Theory

We give a brief review of the Kondo effect in a one-dimensional interacting electron system, and present exact results for the impurity thermodynamic response based on conformal field theory.Comment: 6 pages LaTeX. To appear in the Proceedings of the 1995 Schladming Winter School on Low-Dimensional Models in Statistical Physics and Quantum Field Theor

Genetically Encoded Photo-cross-linkers Map the Binding Site of an Allosteric Drug on a G Protein-Coupled Receptor

G protein-coupled receptors (GPCRs) are dynamic membrane proteins that bind extracellular molecules to transduce signals. Although GPCRs represent the largest class of therapeutic targets, only a small percentage of their ligand-binding sites are precisely defined. Here we describe the novel application of targeted photo-cross-linking using unnatural amino acids to obtain structural information about the allosteric binding site of a small molecule drug, the CCR5-targeted HIV-1 co-receptor blocker maraviroc