Local molecular field theory for effective attractions between like charged objects in systems with strong Coulomb interactions

Strong short ranged positional correlations involving counterions can induce a net attractive force between negatively charged strands of DNA, and lead to the formation of ion pairs in dilute ionic solutions. But the long range of the Coulomb interactions impedes the development of a simple local picture. We address this general problem by mapping the properties of a nonuniform system with Coulomb interactions onto those of a simpler system with short ranged intermolecular interactions in an effective external field that accounts for the averaged effects of appropriately chosen long ranged and slowly varying components of the Coulomb interactions. The remaining short ranged components combine with the other molecular core interactions and strongly affect pair correlations in dense or strongly coupled systems. We show that pair correlation functions in the effective short ranged system closely resemble those in the uniform primitive model of ionic solutions, and illustrate the formation of ion pairs and clusters at low densities. The theory accurately describes detailed features of the effective attraction between two equally charged walls at strong coupling and intermediate separations of the walls. New analytical results for the minimal coupling strength needed to get any attraction and for the separation where the attractive force is a maximum are presented.Comment: 8 pages, 5 figures. To be published in PNA

Ground state energy of unitary fermion gas with the Thomson Problem approach

The dimensionless universal coefficient $\xi$ defines the ratio of the unitary fermions energy density to that for the ideal non-interacting ones in the non-relativistic limit with T=0. The classical Thomson Problem is taken as a nonperturbative quantum many-body arm to address the ground state energy including the low energy nonlinear quantum fluctuation/correlation effects. With the relativistic Dirac continuum field theory formalism, the concise expression for the energy density functional of the strongly interacting limit fermions at both finite temperature and density is obtained. Analytically, the universal factor is calculated to be $\xi={4/9}$. The energy gap is \Delta=\frac{{5}{18}{k_f^2}/(2m).Comment: Identical to published version with revisions according to comment

Distance-two labelings of digraphs

For positive integers $j\ge k$, an $L(j,k)$-labeling of a digraph $D$ is a function $f$ from $V(D)$ into the set of nonnegative integers such that $|f(x)-f(y)|\ge j$ if $x$ is adjacent to $y$ in $D$ and $|f(x)-f(y)|\ge k$ if $x$ is of distant two to $y$ in $D$. Elements of the image of $f$ are called labels. The $L(j,k)$-labeling problem is to determine the $\vec{\lambda}_{j,k}$-number $\vec{\lambda}_{j,k}(D)$ of a digraph $D$, which is the minimum of the maximum label used in an $L(j,k)$-labeling of $D$. This paper studies $\vec{\lambda}_{j,k}$- numbers of digraphs. In particular, we determine $\vec{\lambda}_{j,k}$- numbers of digraphs whose longest dipath is of length at most 2, and $\vec{\lambda}_{j,k}$-numbers of ditrees having dipaths of length 4. We also give bounds for $\vec{\lambda}_{j,k}$-numbers of bipartite digraphs whose longest dipath is of length 3. Finally, we present a linear-time algorithm for determining $\vec{\lambda}_{j,1}$-numbers of ditrees whose longest dipath is of length 3.Comment: 12 pages; presented in SIAM Coference on Discrete Mathematics, June 13-16, 2004, Loews Vanderbilt Plaza Hotel, Nashville, TN, US

An extremal effective survey about extremal effective cycles in moduli spaces of curves

We survey recent developments and open problems about extremal effective divisors and higher codimension cycles in moduli spaces of curves.Comment: Submitted to the Proceedings of the Abel Symposium 2017. Comments are welcom

Business integration models in the context of web services.

E-commerce development and applications have been bringing the Internet to business and marketing and reforming our current business styles and processes. The rapid development of the Web, in particular, the introduction of the semantic web and web service technologies, enables business processes, modeling and management to enter an entirely new stage. Traditional web based business data and transactions can now be analyzed, extracted and modeled to discover new business rules and to form new business strategies, let alone mining the business data in order to classify customers or products. In this paper, we investigate and analyze the business integration models in the context of web services using a micro-payment system because a micro-payment system is considered to be a service intensive activity, where many payment tasks involve different forms of services, such as payment method selection for buyers, security support software, product price comparison, etc. We will use the micro-payment case to discuss and illustrate how the web services approaches support and transform the business process and integration model.

Selecting between two transition states by which water oxidation intermediates on an oxide surface decay

While catalytic mechanisms on electrode surfaces have been proposed for decades, the pathways by which the product's chemical bonds evolve from the initial charge-trapping intermediates have not been resolved in time. Here, we discover a reactive population of charge-trapping intermediates with states in the middle of a semiconductor's band-gap to reveal the dynamics of two parallel transition state pathways for their decay. Upon photo-triggering the water oxidation reaction from the n-SrTiO3 surface with band-gap, pulsed excitation, the intermediates' microsecond decay reflects transition state theory (TST) through: (1) two distinct and reaction dependent (pH, T, Ionic Strength, and H/D exchange) time constants, (2) a primary kinetic salt effect on each activation barrier and an H/D kinetic isotope effect on one, and (3) realistic activation barrier heights (0.4 - 0.5 eV) and TST pre-factors (10^11 - 10^12 Hz). A photoluminescence from midgap states in n-SrTiO3 reveals the reaction dependent decay; the same spectrum was previously assigned by us to hole-trapping at parallel Ti-O(dot)-Ti (bridge) and perpendicular Ti-O(dot) (oxyl) O-sites using in situ ultrafast vibrational and optical spectroscopy. Therefore, the two transition states are naturally associated with the decay of these respective intermediates. Furthermore, we show that reaction conditions select between the two pathways, one of which reflects a labile intermediate facing the electrolyte (the oxyl) and the other a lattice oxygen (the bridge). Altogether, we experimentally isolate an important activation barrier for water oxidation, which is necessary for designing water oxidation catalysts with high O2 turn over. Moreover, in isolating it, we identify competing mechanisms for O2 evolution at surfaces and show how to use reaction conditions to select between them

Ab Initio Simulation of the Nodal Surfaces of Heisenberg Antiferromagnets

The spin-half Heisenberg antiferromagnet (HAF) on the square and triangular lattices is studied using the coupled cluster method (CCM) technique of quantum many-body theory. The phase relations between different expansion coefficients of the ground-state wave function in an Ising basis for the square lattice HAF is exactly known via the Marshall-Peierls sign rule, although no equivalent sign rule has yet been obtained for the triangular lattice HAF. Here the CCM is used to give accurate estimates for the Ising-expansion coefficients for these systems, and CCM results are noted to be fully consistent with the Marshall-Peierls sign rule for the square lattice case. For the triangular lattice HAF, a heuristic rule is presented which fits our CCM results for the Ising-expansion coefficients of states which correspond to two-body excitations with respect to the reference state. It is also seen that Ising-expansion coefficients which describe localised, $m$-body excitations with respect to the reference state are found to be highly converged, and from this result we infer that the nodal surface of the triangular lattice HAF is being accurately modeled. Using these results, we are able to make suggestions regarding possible extensions of existing quantum Monte Carlo simulations for the triangular lattice HAF.Comment: 24 pages, Latex, 3 postscript figure