Resummation Improved Rapidity Spectrum for Gluon Fusion Higgs Production

Gluon-induced processes such as Higgs production typically exhibit large perturbative corrections. These partially arise from large virtual corrections to the gluon form factor, which at timelike momentum transfer contains Sudakov logarithms evaluated at negative arguments $\ln^2(-1) = -\pi^2$. It has been observed that resumming these terms in the timelike form factor leads to a much improved perturbative convergence for the total cross section. We discuss how to consistently incorporate the resummed form factor into the perturbative predictions for generic cross sections differential in the Born kinematics, including in particular the Higgs rapidity spectrum. We verify that this indeed improves the perturbative convergence, leading to smaller and more reliable perturbative uncertainties, and that this is not affected by cancellations between resummed and unresummed contributions. Combining both fixed-order and resummation uncertainties, the perturbative uncertainty for the total cross section at N$^3$LO$+$N$^3$LL$^\prime_\varphi$ is about a factor of two smaller than at N$^3$LO. The perturbative uncertainty of the rapidity spectrum at NNLO$+$NNLL$^\prime_\varphi$ is similarly reduced compared to NNLO. We also study the analogous resummation for quark-induced processes, namely Higgs production through bottom quark annihilation and the Drell-Yan rapidity spectrum. For the former the resummation leads to a small improvement, while for the latter it confirms the already small uncertainties of the fixed-order predictions.Comment: 30 pages + 17 pages in Appendices, 10 figures; v2: journal version; references added, discussed individual partonic channels for Drell-Ya

Hole polaron formation and migration in olivine phosphate materials

By combining first principles calculations and experimental XPS measurements, we investigate the electronic structure of potential Li-ion battery cathode materials LiMPO4 (M=Mn,Fe,Co,Ni) to uncover the underlying mechanisms that determine small hole polaron formation and migration. We show that small hole polaron formation depends on features in the electronic structure near the valence-band maximum and that, calculationally, these features depend on the methodology chosen for dealing with the correlated nature of the transition-metal d-derived states in these systems. Comparison with experiment reveals that a hybrid functional approach is superior to GGA+U in correctly reproducing the XPS spectra. Using this approach we find that LiNiPO4 cannot support small hole polarons, but that the other three compounds can. The migration barrier is determined mainly by the strong or weak bonding nature of the states at the top of the valence band, resulting in a substantially higher barrier for LiMnPO4 than for LiCoPO4 or LiFePO4

Enhanced magnetocaloric effect in frustrated magnetic molecules with icosahedral symmetry

We investigate the magnetocaloric properties of certain antiferromagnetic spin systems that have already been or very likely can be synthesized as magnetic molecules. It turns out that the special geometric frustration which is present in antiferromagnets that consist of corner-sharing triangles leads to an enhanced magnetocaloric effect with high cooling rates in the vicinity of the saturation field. These findings are compared with the behavior of a simple unfrustrated spin ring as well as with the properties of the icosahedron. To our surprise, also for the icosahedron large cooling rates can be achieved but due to a different kind of geometric frustration.Comment: 5 pages, 8 figures, more information at http://obelix.physik.uni-osnabrueck.de/~schnack

Entanglement verification for quantum key distribution systems with an underlying bipartite qubit-mode structure

We consider entanglement detection for quantum key distribution systems that use two signal states and continuous variable measurements. This problem can be formulated as a separability problem in a qubit-mode system. To verify entanglement, we introduce an object that combines the covariance matrix of the mode with the density matrix of the qubit. We derive necessary separability criteria for this scenario. These criteria can be readily evaluated using semidefinite programming and we apply them to the specific quantum key distribution protocol.Comment: 6 pages, 2 figures, v2: final versio

Ray-optical refraction with confocal lenslet arrays

Two parallel lenslet arrays with focal lengths f1 and f2 that share a common focal plane (that is, which are separated by a distance f1+f2) can refract transmitted light rays according to Snell's law, but with the 'sin's replaced with 'tan's. This is the case for a limited range of input angles and other conditions. Such confocal lenslet arrays can therefore simulate the interface between optical media with different refractive indices, n1 and n2, whereby the ratio η=-f2/f1 plays the role of the refractive-index ratio n2/n1. Suitable choices of focal lengths enable positive and negative refraction. In contrast to Snell's law, which leads to nontrivial geometric imaging by a planar refractive-index interface only for the special case of n1=±n2, the modified refraction law leads to geometric imaging by planar confocal lenslet arrays for any value of η. We illustrate some of the properties of confocal lenslet arrays with images rendered using ray-tracing software

Magnetic Coupling Between Non-Magnetic Ions: Eu3+ in EuN and EuP

We consider the electronic structure of, and magnetic exchange (spin) interactions between, nominally nonmagnetic Eu^3+ ions (4f^6, S=3, L=3, J=0) within the context of the rocksalt structure compounds EuN and EuP. Both compounds are ionic [Eu^3+; N^3- and P^3-] semimetals similar to isovalent GdN. Treating the spin polarization within the 4f shell, and then averaging consistent with the J=0 configuration, we estimate semimetallic band overlaps (Eu 5d with pnictide 2p or 3p) of ~0.1 eV (EuN) and ~1.0 eV (EuP) that increase (become more metallic) with pressure. The calculated bulk modulus is 130 (86) GPa for EuN (EuP). Exchange (spin-spin) coupling calculated from correlated band theory is small and ferromagnetic in sign for EuN, increasing in magnitude with pressure. Conversely, the exchange coupling is antiferromagnetic in sign for EuP and is larger in magnitude, but decreases with compression. Study of a two-site model with S_1*S_2 coupling within the J=0,1 spaces of each ion illustrates the dependence of the magnetic correlation functions on the model parameters, and indicates that the spin coupling is sufficient to alter the Van Vleck susceptibility. We outline a scenario of a spin-correlation transition in a lattice of S=3, L=3, J=0 nonmagnetic ions

Targeted Excited State Algorithms

To overcome the limitations of the traditional state-averaging approaches in excited state calculations, where one solves for and represents all states between the ground state and excited state of interest, we have investigated a number of new excited state algorithms. Building on the work of van der Vorst and Sleijpen (SIAM J. Matrix Anal. Appl., 17, 401 (1996)), we have implemented Harmonic Davidson and State-Averaged Harmonic Davidson algorithms within the context of the Density Matrix Renormalization Group (DMRG). We have assessed their accuracy and stability of convergence in complete active space DMRG calculations on the low-lying excited states in the acenes ranging from naphthalene to pentacene. We find that both algorithms offer increased accuracy over the traditional State-Averaged Davidson approach, and in particular, the State-Averaged Harmonic Davidson algorithm offers an optimal combination of accuracy and stability in convergence

Formation of carbohydrate-functionalised polystyrene and glass slides and their analysis by MALDI-TOF MS

Glycans functionalised with hydrophobic trityl groups were synthesised and adsorbed onto polystyrene and glass slides in an array format. The adsorbed glycans could be analysed directly on these minimally conducting surfaces by MALDI-TOF mass spectrometry analysis after aluminium tape was attached to the underside of the slides. Furthermore, the trityl group appeared to act as an internal matrix and no additional matrix was necessary for the MS analysis. Thus, trityl groups can be used as simple hydrophobic, noncovalently linked anchors for ligands on surfaces and at the same time facilitate the in situ mass spectrometric analysis of such ligands