Mediation of Long Range Charge Transfer by Kondo Bound States

We present a theory of non-equilibrium long range charge transfer between donor and acceptor centers in a model polymer mediated by magnetic exciton (Kondo) bound states. Our model produces electron tunneling lengths easily exceeding 10$\AA$, as observed recently in DNA and organic charge transfer systems. This long ranged tunneling is effective for weak to intermediate donor-bridge coupling, and is enhanced both by weak to intermediate strength Coulomb hole-electron attraction (through the orthogonality catastrophe) and by coupling to local vibrational modes.Comment: Revised content (broadened scope, vibrations added), submitted to Phys Rev Lett, added autho

Measurement of the 187Re({\alpha},n)190Ir reaction cross section at sub-Coulomb energies using the Cologne Clover Counting Setup

Uncertainties in adopted models of particle+nucleus optical-model potentials directly influence the accuracy in the theoretical predictions of reaction rates as they are needed for reaction-network calculations in, for instance, {\gamma}-process nucleosynthesis. The improvement of the {\alpha}+nucleus optical-model potential is hampered by the lack of experimental data at astrophysically relevant energies especially for heavier nuclei. Measuring the Re187({\alpha},n)Ir190 reaction cross section at sub-Coulomb energies extends the scarce experimental data available in this mass region and helps understanding the energy dependence of the imaginary part of the {\alpha}+nucleus optical-model potential at low energies. Applying the activation method, after the irradiation of natural rhenium targets with {\alpha}-particle energies of 12.4 to 14.1 MeV, the reaction yield and thus the reaction cross section were determined via {\gamma}-ray spectroscopy by using the Cologne Clover Counting Setup and the method of {\gamma}{\gamma} coincidences. Cross-section values at five energies close to the astrophysically relevant energy region were measured. Statistical model calculations revealed discrepancies between the experimental values and predictions based on widely used {\alpha}+nucleus optical-model potentials. However, an excellent reproduction of the measured cross-section values could be achieved from calculations based on the so-called Sauerwein-Rauscher {\alpha}+nucleus optical-model potential. The results obtained indicate that the energy dependence of the imaginary part of the {\alpha}+nucleus optical-model potential can be described by an exponential decrease. Successful reproductions of measured cross sections at low energies for {\alpha}-induced reactions in the mass range 141{\leq}A{\leq}187 confirm the global character of the Sauerwein-Rauscher potential

Possible experimental signature of octupole correlations in the 02+^+_2 states of the actinides

$J^{\pi}$= 0$^+$ states have been investigated in the actinide nucleus ${}^{240}$Pu up to an excitation energy of 3 MeV with a high-resolution (p,t) experiment at $E_{p}$= 24 MeV. To test the recently proposed $J^{\pi}$= 0$^+_2$ double-octupole structure, the phenomenological approach of the spdf-interacting boson model has been chosen. In addition, the total 0$^+$ strength distribution and the $0^+$ strength fragmentation have been compared to the model predictions as well as to the previously studied (p,t) reactions in the actinides. The results suggest that the structure of the 0$^+_2$ states in the actinides might be more complex than the usually discussed pairing isomers. Instead, the octupole degree of freedom might contribute significantly. The signature of two close-lying 0$^+$ states below the 2-quasiparticle energy is presented as a possible manifestation of strong octupole correlations in the structure of the 0$^+_2$ states in the actinides.Comment: 6 pages, 5 figures, published in Phys. Rev. C 88, 041303(R) (2013

Increased accuracy of ligand sensing by receptor internalization

Many types of cells can sense external ligand concentrations with cell-surface receptors at extremely high accuracy. Interestingly, ligand-bound receptors are often internalized, a process also known as receptor-mediated endocytosis. While internalization is involved in a vast number of important functions for the life of a cell, it was recently also suggested to increase the accuracy of sensing ligand as the overcounting of the same ligand molecules is reduced. Here we show, by extending simple ligand-receptor models to out-of-equilibrium thermodynamics, that internalization increases the accuracy with which cells can measure ligand concentrations in the external environment. Comparison with experimental rates of real receptors demonstrates that our model has indeed biological significance.Comment: 9 pages, 4 figures, accepted for publication in Physical Review

Strong electron correlations in cobalt valence tautomers

We have examined cobalt based valence tautomer molecules such as Co(SQ)$_2$(phen) using density functional theory (DFT) and variational configuration interaction (VCI) approaches based upon a model Hamiltonian. Our DFT results extend earlier work by finding a reduced total energy gap (order 0.6 eV) between high temperature and low temperature states when we fully relax the coordinates (relative to experimental ones). Futhermore we demonstrate that the charge transfer picture based upon formal valence arguments succeeds qualitatively while failing quantitatively due to strong covalency between the Co 3$d$ orbitals and ligand $p$ orbitals. With the VCI approach, we argue that the high temperature, high spin phase is strongly mixed valent, with about 30 % admixture of Co(III) into the predominantly Co(II) ground state. We confirm this mixed valence through a fit to the XANES spectra. Moreover, the strong electron correlations of the mixed valent phase provide an energy lowering of about 0.2-0.3 eV of the high temperature phase relative to the low temperature one. Finally, we use the domain model to account for the extraordinarily large entropy and enthalpy values associated with the transition.Comment: 10 pages, 4 figures, submitted to J. Chem. Phy

Aviram-Ratner rectifying mechanism for DNA base pair sequencing through graphene nanogaps

We demonstrate that biological molecules such as Watson-Crick DNA base pairs can behave as biological Aviram-Ratner electrical rectifiers because of the spatial separation and weak hydrogen bonding between the nucleobases. We have performed a parallel computational implementation of the ab-initio non-equilibrium Green's function (NEGF) theory to determine the electrical response of graphene---base-pair---graphene junctions. The results show an asymmetric (rectifying) current-voltage response for the Cytosine-Guanine base pair adsorbed on a graphene nanogap. In sharp contrast we find a symmetric response for the Thymine-Adenine case. We propose applying the asymmetry of the current-voltage response as a sensing criterion to the technological challenge of rapid DNA sequencing via graphene nanogaps

Using Synchronic and Diachronic Relations for Summarizing Multiple Documents Describing Evolving Events

In this paper we present a fresh look at the problem of summarizing evolving events from multiple sources. After a discussion concerning the nature of evolving events we introduce a distinction between linearly and non-linearly evolving events. We present then a general methodology for the automatic creation of summaries from evolving events. At its heart lie the notions of Synchronic and Diachronic cross-document Relations (SDRs), whose aim is the identification of similarities and differences between sources, from a synchronical and diachronical perspective. SDRs do not connect documents or textual elements found therein, but structures one might call messages. Applying this methodology will yield a set of messages and relations, SDRs, connecting them, that is a graph which we call grid. We will show how such a grid can be considered as the starting point of a Natural Language Generation System. The methodology is evaluated in two case-studies, one for linearly evolving events (descriptions of football matches) and another one for non-linearly evolving events (terrorist incidents involving hostages). In both cases we evaluate the results produced by our computational systems.Comment: 45 pages, 6 figures. To appear in the Journal of Intelligent Information System

Comparing Microwave and Classical Synthesis of Oxymethylene Dimethyl Ethers

Polyoxymethylene dimethyl ethers (OME n ) are considered as substituents or additives for fossil diesel fuel. Efficiency of the synthesis is crucial for the development of industrial scale production plants. Therefore, the design of suitable catalysts and the efficient heating play important roles in OME fuel synthesis. In this work, microwave‐assisted synthesis (MAS) is carried out and compared to a classical approach using standard thermal heating. Different polymeric materials, e.g., Amerlyst15, are utilized as catalysts, and screened for the catalytic synthesis of OME. Within this approach, the kinetics of the reaction are analyzed in detail

Probing many-body dynamics on a 51-atom quantum simulator

Controllable, coherent many-body systems can provide insights into the fundamental properties of quantum matter, enable the realization of new quantum phases and could ultimately lead to computational systems that outperform existing computers based on classical approaches. Here we demonstrate a method for creating controlled many-body quantum matter that combines deterministically prepared, reconfigurable arrays of individually trapped cold atoms with strong, coherent interactions enabled by excitation to Rydberg states. We realize a programmable Ising-type quantum spin model with tunable interactions and system sizes of up to 51 qubits. Within this model, we observe phase transitions into spatially ordered states that break various discrete symmetries, verify the high-fidelity preparation of these states and investigate the dynamics across the phase transition in large arrays of atoms. In particular, we observe robust manybody dynamics corresponding to persistent oscillations of the order after a rapid quantum quench that results from a sudden transition across the phase boundary. Our method provides a way of exploring many-body phenomena on a programmable quantum simulator and could enable realizations of new quantum algorithms.Comment: 17 pages, 13 figure