Fluorescence and topological gap of conjugated phenylene polymers

We propose that strong fluorescence in conjugated polymers requires a dipole-allowed state to be the lowest singlet. Hückel theory for para-conjugated phenyl rings yields an extended, topologically one-dimensional ?-system with increased alternation, states localized on each ring, and charge-transfer excitations between them. Exact Pariser�Parr�Pople results and molecular spectra for oligomers support a topological contribution and a lowest dipole-allowed singlet in phenylene polymers.

Studies in crystal engineering: Effect of fluorine substitution in crystal packing and topological photodimerization of styryl coumarins in the solid state

Styryl coumarins generally yield centrosymmetric (alpha-mode, anti-HT) photodimers when subjected to irradiation in the solid state, However, the substitution of fluorine dramatically alters the packing mode and steers the molecules 4-(4-fluorostyryl)coumarin 1 and 4-(2-fluorostyryl)coumarin 2 to form a stereospecific photodimer, beta-mode, syn-HH across the styrenic double bond (yield 78-85%). The stereochemistry of the photodimer 2a has been established by X-ray crystallography. There is no evidence for the presence of C-H ... F interactions. The true nature of the weak atom-atom interactions called into play when fluorine is substituted is not clear, It is observed that the fluoro substituted compounds have greater crystal density than the corresponding unsubstituted ones.

Stochastic differential games: Occupation measure based approach

A new approach based on occupation measures is introduced for studying stochastic differential games. For two-person zero-sum games, the existence of values and optimal strategies for both players is established for various payoff criteria. ForN-person games, the existence of equilibria in Markov strategies is established for various cases.

Studies in crystal engineering: Crystal packing, topological photodimerization and structure-reactivity correlations in fluoro-substituted styrylcoumarins

In continuation of our studies on the influence of fluoro substitution on the solid state photobehaviour and packing pattern of styrylcoumarins, the results obtained for 4-(3-fluorostyryl)coumarin 1, 4-styryl-6-fluorocoumarin 2 and 4-styryl-7-fluorocoumarin 3 are presented. The configuration of the dimers was established on the basis of crystal packing of 1 and 2 (alpha-packed). A rationale for the significantly lower dimer yield in the crystal for 2 is proposed. In the observed centrosymmetric arrangement of the reactants the C=O ...pi (phenyl) contacts seem to provide additional attractive interactions. C-H ... O and C-H ... F hydrogen bonding seems to provide stability in these structures.

Topological phases, Majorana modes and quench dynamics in a spin ladder system

We explore the salient features of the `Kitaev ladder', a two-legged ladder version of the spin-1/2 Kitaev model on a honeycomb lattice, by mapping it to a one-dimensional fermionic p-wave superconducting system. We examine the connections between spin phases and topologically non-trivial phases of non-interacting fermionic systems, demonstrating the equivalence between the spontaneous breaking of global Z(2) symmetry in spin systems and the existence of isolated Majorana modes. In the Kitaev ladder, we investigate topological properties of the system in different sectors characterized by the presence or absence of a vortex in each plaquette of the ladder. We show that vortex patterns can yield a rich parameter space for tuning into topologically non-trivial phases. We introduce and employ a new topological invariant for explicitly determining the presence of zero energy Majorana modes at the boundaries of such phases. Finally, we discuss dynamic quenching between topologically non-trivial phases in the Kitaev ladder and, in particular, the post-quench dynamics governed by tuning through a quantum critical point.

Survival of the fittest and zero sum games

Competition for available resources is natural amongst coexisting species, and the fittest contenders dominate over the rest in evolution. The. dynamics of this selection is studied using a simple linear model. It has similarities to features of quantum computation, in particular conservation laws leading to destructive interference. Compared to an altruistic scenario, competition introduces instability and eliminates the weaker species in a finite time.

Faster Algorithms for Incremental Topological Ordering.Robert Tarjan

We present two online algorithms for maintaining a topological order of a directed acyclic graph as arcs are added, and detecting a cycle when one is created. Our first algorithm takes O(m 1/2) amortized time per arc and our second algorithm takes O(n 2.5/m) amortized time per arc, where n is the number of vertices and m is the total number of arcs. For sparse graphs, our O(m 1/2) bound improves the best previous bound by a factor of logn and is tight to within a constant factor for a natural class of algorithms that includes all the existing ones. Our main insight is that the two-way search method of previous algorithms does not require an ordered search, but can be more general, allowing us to avoid the use of heaps (priority queues). Instead, the deterministic version of our algorithm uses (approximate) median-finding; the randomized version of our algorithm uses uniform random sampling. For dense graphs, our O(n 2.5/m) bound improves the best previously published bound by a factor of n 1/4 and a recent bound obtained independently of our work by a factor of logn. Our main insight is that graph search is wasteful when the graph is dense and can be avoided by searching the topological order space instead. Our algorithms extend to the maintenance of strong components, in the same asymptotic time bounds.

Provider-Customer Coalitional Games

Efficacy of commercial wireless networks can be substantially enhanced through large-scale cooperation among involved entities such as providers and customers. The success of such cooperation is contingent upon the design of judicious resource allocation strategies that ensure that the individuals' payoffs are commensurate to the resources they offer to the coalition. The resource allocation strategies depend on which entities are decision-makers and whether and how they share their aggregate payoffs. Initially, we consider the scenario where the providers are the only decision-makers and they do not share their payoffs. We formulate the resource allocation problem as a nontransferable payoff coalitional game and show that there exists a cooperation strategy that leaves no incentive for any subset of providers to split from the grand coalition, i.e., the core of the game is nonempty. To compute this cooperation strategy and the corresponding payoffs, we subsequently relate this game and its core to an exchange market setting and its equilibrium, which can be computed by several efficient algorithms. Next, we investigate cooperation when customers are also decision-makers and decide which provider to subscribe to based on whether there is cooperation. We formulate a coalitional game in this setting and show that it has a nonempty core. Finally, we extend the formulations and results to the cases where the payoffs are vectors and can be shared selectively.

Spin-polarized STM spectra of Dirac electrons on the surface of a topological insulator

We provide a theory for the tunneling conductance G(V) of Dirac electrons on the surface of a topological insulator as measured by a spin-polarized scanning tunneling microscope tip for low-bias voltages V. We show that if the in-plane rotational symmetry on the surface of the topological insulator is broken by an external field that does not couple to spin directly (such as an in-plane electric field), G(V) exhibits an unconventional dependence on the direction of the magnetization of the tip, i.e., it acquires a dependence on the azimuthal angle of the magnetization of the tip. We also show that G(V) can be used to measure the magnitude of the local out-of-plane spin orientation of the Dirac electrons on the surface. We explain the role of the Dirac electrons in this unconventional behavior and suggest experiments to test our theory.

Charge Density Analysis of a Pentaborate Ion in an Ammonium Borate: Toward the Understanding of Topological Features in Borate Minerals

Structural and charge density distribution studies have been carried out on a single crystal data of an ammonium borate, [C(10)H(26)N(4)][B(5)O(6)(OH)(4)](2), synthesized by solvothermal method. Further, the experimentally observed geometry is used for the theoretical charge density calculations using the B3LYP/6-31G** level of theory, and the results are compared with the experimental values. Topological analysis of charge density based on the Atoms in Molecules approach for B-O bonds exhibit mixed covalent/ionic character. Detailed analysis of the hydrogen bonds in the crystal structure in the ammonium borate provides insights into the understanding of the reaction pathways that net atomic charges and electrostatic potential isosurfaces also give additional such systems. could result in the formation of borate minerals. The input to evaluate chemical and physical properties in such systems.

Topological analysis of general linear networks

A new method of network analysis, a generalization in several different senses of existing methods and applicable to all networks for which a branch-admittance (or impedance) matrix can be formed, is presented. The treatment of network determinants is very general and essentially four terminal rather than three terminal, and leads to simple expressions based on trees of a simple graph associated with the network and matrix, and involving products of low-order, usually(2 times 2)determinants of tree-branch admittances, in addition to tree-branch products as in existing methods. By comparison with existing methods, the total number of trees and of tree pairs is usually considerably reduced, and this fact, together with an easy method of tree-pair sign determination which is also presented, makes the new method simpler in general. The method can be very easily adapted, by the use of infinite parameters, to accommodate ideal transformers, operational amplifiers, and other forms of network constraint; in fact, is thought to be applicable to all linear networks.

Raman signatures of pressure induced electronic topological and structural transitions in Bi2Te3

We report Raman signatures of electronic topological transition (ETT) at 3.6 GPa and rhombohedral (alpha-Bi2Te3) to monoclinic (beta-Bi2Te3) structural transition at similar to 8 GPa. At the onset of ETT, a new Raman mode appears near 107 cm(-1) which is dispersionless with pressure. The structural transition at similar to 8 GPa is marked by a change in pressure derivative of A(1g) and E-g mode frequencies as well as by appearance of new modes near 115 cm(-1) and 135 cm(-1). The mode Grilneisen parameters are determined in both the alpha and beta-phases. (C) 2011 Elsevier Ltd. All rights reserved.

Incremental Cycle Detection, Topological Ordering, and Strong Component Maintenance

We present two online algorithms for maintaining a topological order of a directed n-vertex acyclic graph as arcs are added, and detecting a cycle when one is created. Our first algorithm handles m arc additions in O(m(3/2)) time. For sparse graphs (m/n = O(1)), this bound improves the best previous bound by a logarithmic factor, and is tight to within a constant factor among algorithms satisfying a natural locality property. Our second algorithm handles an arbitrary sequence of arc additions in O(n(5/2)) time. For sufficiently dense graphs, this bound improves the best previous bound by a polynomial factor. Our bound may be far from tight: we show that the algorithm can take Omega(n(2)2 root(2lgn)) time by relating its performance to a generalization of the k-levels problem of combinatorial geometry. A completely different algorithm running in Theta (n(2) log n) time was given recently by Bender, Fineman, and Gilbert. We extend both of our algorithms to the maintenance of strong components, without affecting the asymptotic time bounds.

Junction between surfaces of two topological insulators

We study the properties of a line junction which separates the surfaces of two three-dimensional topological insulators. The velocities of the Dirac electrons on the two surfaces may be unequal and may even have opposite signs. For a time-reversal invariant system, we show that the line junction is characterized by an arbitrary parameter alpha which determines the scattering from the junction. If the surface velocities have the same sign, we show that there can be edge states which propagate along the line junction with a velocity and spin orientation which depend on alpha and the ratio of the velocities. Next, we study what happens if the two surfaces are at an angle phi with respect to each other. We study the scattering and differential conductance through the line junction as functions of phi and alpha. We also find that there are edge states which propagate along the line junction with a velocity and spin orientation which depend on phi. Finally, if the surface velocities have opposite signs, we find that the electrons must transmit into the two-dimensional interface separating the two topological insulators.