Extended Hubbard model on a C20_{20} molecule

The electronic correlations on a C$_{20}$ molecule, as described by an extended Hubbard Hamiltonian with a nearest neighbor Coulomb interaction of strength $V$, are studied using quantum Monte Carlo and exact diagonalization methods. For electron doped C$_{20}$, it is known that pair-binding arising from a purely electronic mechanism is absent within the standard Hubbard model (V=0). Here we show that this is also the case for hole doping for $0<U/t\leq 3$ and that, for both electron and hole doping, the effect of a non-zero $V$ is to work against pair-binding. We also study the magnetic properties of the neutral molecule, and find transitions between spin singlet and triplet ground states for either fixed $U$ or $V$ values. In addition, spin, charge and pairing correlation functions on C$_{20}$ are computed. The spin-spin and charge-charge correlations are very short-range, although a weak enhancement in the pairing correlation is observed for a distance equal to the molecular diameter.Comment: 9 pages, 8 figures, 4 table

Phase dynamics of inductively coupled intrinsic Josephson junctions and terahertz electromagnetic radiation

The Josephson effects associated with quantum tunneling of Cooper pairs manifest as nonlinear relations between the superconductivity phase difference and the bias current and voltage. Many novel phenomena appear, such as Shapiro steps in dc cuurent-voltage (IV) characteristics of a Josephson junction under microwave shining, which can be used as a voltage standard. Inversely, the Josephson effects provide a unique way to generate high-frequency electromagnetic (EM) radiation by dc bias voltage. The discovery of cuprate high-Tc superconductors accelerated the effort to develop novel source of EM waves based on a stack of atomically dense-packed intrinsic Josephson junctions (IJJs), since the large superconductivity gap covers the whole terahertz frequency band. Very recently, strong and coherent terahertz radiations have been successfully generated from a mesa structure of $\rm{Bi_2Sr_2CaCu_2O_{8+\delta}}$ single crystal which works both as the source of energy gain and as the cavity for resonance. It is then found theoretically that, due to huge inductive coupling of IJJs produced by the nanometer junction separation and the large London penetration depth of order of $\rm{\mu m}$ of the material, a novel dynamic state is stabilized in the coupled sine-Gordon system, in which $\pm \pi$ kinks in phase differences are developed responding to the standing wave of Josephson plasma and are stacked alternatively in the c-axis. This novel solution of the inductively coupled sine-Gordon equations captures the important features of experimental observations. The theory predicts an optimal radiation power larger than the one available to date by orders of magnitude, and thus suggests the technological relevance of the phenomena.Comment: review article (69 pages, 30 figures

Stereospecific synthesis of the aglycone of pseudopterosin E

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Agrobacterium tumefaciens Deploys a Superfamily of Type VI Secretion DNase Effectors as Weapons for Interbacterial Competition In Planta

The type VI secretion system (T6SS) is a widespread molecular weapon deployed by many Proteobacteria to target effectors/toxins into both eukaryotic and prokaryotic cells. We report that Agrobacterium tumefaciens, a soil bacterium that triggers tumorigenesis in plants, produces a family of type VI DNase effectors (Tde) that are distinct from previously known polymorphic toxins and nucleases. Tde exhibits an antibacterial DNase activity that relies on a conserved HxxD motif and can be counteracted by a cognate immunity protein, Tdi. In vitro, A. tumefaciens T6SS could kill Escherichia coli but triggered a lethal counterattack by Pseudomonas aeruginosa upon injection of the Tde toxins. However, in an in planta coinfection assay, A. tumefaciens used Tde effectors to attack both siblings cells and P. aeruginosa to ultimately gain a competitive advantage. Such acquired T6SS-dependent fitness in vivo and conservation of Tde-Tdi couples in bacteria highlights a widespread antibacterial weapon beneficial for niche colonization

Hierarchical Stochastic Block Model for Community Detection in Multiplex Networks

Multiplex networks have become increasingly more prevalent in many fields, and have emerged as a powerful tool for modeling the complexity of real networks. There is a critical need for developing inference models for multiplex networks that can take into account potential dependencies across different layers, particularly when the aim is community detection. We add to a limited literature by proposing a novel and efficient Bayesian model for community detection in multiplex networks. A key feature of our approach is the ability to model varying communities at different network layers. In contrast, many existing models assume the same communities for all layers. Moreover, our model automatically picks up the necessary number of communities at each layer (as validated by real data examples). This is appealing, since deciding the number of communities is a challenging aspect of community detection, and especially so in the multiplex setting, if one allows the communities to change across layers. Borrowing ideas from hierarchical Bayesian modeling, we use a hierarchical Dirichlet prior to model community labels across layers, allowing dependency in their structure. Given the community labels, a stochastic block model (SBM) is assumed for each layer. We develop an efficient slice sampler for sampling the posterior distribution of the community labels as well as the link probabilities between communities. In doing so, we address some unique challenges posed by coupling the complex likelihood of SBM with the hierarchical nature of the prior on the labels. An extensive empirical validation is performed on simulated and real data, demonstrating the superior performance of the model over single-layer alternatives, as well as the ability to uncover interesting structures in real networks

The quality of price formation at market openings and closings: evidence from the Nasdaq stock market

Central counterparties (CCPs) have increasingly become a cornerstone of financial markets infrastructure. We present a model where trades are time-critical, liquidity is limited and there is limited enforcement of trades. We show a CCP novating trades implements efficient trading behaviour. It is optimal for the CCP to face default losses to achieve the efficient level of trade. To cover these losses, the CCP optimally uses margin calls, and, as the default problem becomes more severe, also requires default funds and then imposes position limits

Estimates of Effective Hubbard Model Parameters for C20 isomers

We report on an effective Hubbard Hamiltonian approach for the study of electronic correlations in C$_{20}$ isomers, cage, bowl and ring, with quantum Monte Carlo and exact diagonalization methods. The tight-binding hopping parameter, $t$, in the effective Hamiltonian is determined by a fit to density functional theory calculations, and the on-site Coulomb interaction, $U/t$, is determined by calculating the isomers' affinity energies, which are compared to experimental values. For the C$_{20}$ fullerene cage we estimate $t_{\rm cage}\simeq 0.68-1.36$ eV and $(U/t)_{\rm cage} \simeq 7.1-12.2$. The resulting effective Hamiltonian is then used to study the shift of spectral peaks in the density of states of neutral and one-electron-doped C$_{20}$ isomers. Energy gaps are also extracted for possible future comparison with experiments.Comment: 6 pages, 5 figure