Ab initio quantum dynamics using coupled-cluster

The curse of dimensionality (COD) limits the current state-of-the-art {\it ab initio} propagation methods for non-relativistic quantum mechanics to relatively few particles. For stationary structure calculations, the coupled-cluster (CC) method overcomes the COD in the sense that the method scales polynomially with the number of particles while still being size-consistent and extensive. We generalize the CC method to the time domain while allowing the single-particle functions to vary in an adaptive fashion as well, thereby creating a highly flexible, polynomially scaling approximation to the time-dependent Schr\"odinger equation. The method inherits size-consistency and extensivity from the CC method. The method is dubbed orbital-adaptive time-dependent coupled-cluster (OATDCC), and is a hierarchy of approximations to the now standard multi-configurational time-dependent Hartree method for fermions. A numerical experiment is also given.Comment: 5 figure

Finite-size scaling in complex networks

A finite-size-scaling (FSS) theory is proposed for various models in complex networks. In particular, we focus on the FSS exponent, which plays a crucial role in analyzing numerical data for finite-size systems. Based on the droplet-excitation (hyperscaling) argument, we conjecture the values of the FSS exponents for the Ising model, the susceptible-infected-susceptible model, and the contact process, all of which are confirmed reasonably well in numerical simulations

Universality Class of One-Dimensional Directed Sandpile Models

A general n-state directed `sandpile' model is introduced. The stationary properties of the n-state model are derived for n < infty, and analytical arguments based on a central limit theorem show that the model belongs to the universality class of the totally asymmetric Oslo model, with a crossover to uncorrelated branching process behavior for small system sizes. Hence, the central limit theorem allows us to identify the existence of a large universality class of one-dimensional directed sandpile models.Comment: 4 pages, 2 figure

Branching process approach for Boolean bipartite networks of metabolic reactions

The branching process (BP) approach has been successful in explaining the avalanche dynamics in complex networks. However, its applications are mainly focused on unipartite networks, in which all nodes are of the same type. Here, motivated by a need to understand avalanche dynamics in metabolic networks, we extend the BP approach to a particular bipartite network composed of Boolean AND and OR logic gates. We reduce the bipartite network into a unipartite network by integrating out OR gates, and obtain the effective branching ratio for the remaining AND gates. Then the standard BP approach is applied to the reduced network, and the avalanche size distribution is obtained. We test the BP results with simulations on the model networks and two microbial metabolic networks, demonstrating the usefulness of the BP approach

Forcing anomalous scaling on demographic fluctuations

We discuss the conditions under which a population of anomalously diffusing individuals can be characterized by demographic fluctuations that are anomalously scaling themselves. Two examples are provided in the case of individuals migrating by Gaussian diffusion, and by a sequence of L\'evy flights.Comment: 5 pages 2 figure

Progressive failure methodologies for predicting residual strength and life of laminated composites

Two progressive failure methodologies currently under development by the Mechanics of Materials Branch at NASA Langley Research Center are discussed. The damage tolerance/fail safety methodology developed by O'Brien is an engineering approach to ensuring adequate durability and damage tolerance by treating only delamination onset and the subsequent delamination accumulation through the laminate thickness. The continuum damage model developed by Allen and Harris employs continuum damage laws to predict laminate strength and life. The philosophy, mechanics framework, and current implementation status of each methodology are presented

A Bootstrapping Approach for Generating Maximally Path-Entangled Photon States

We propose a bootstrapping approach to generation of maximally path-entangled states of photons, so called ``NOON states''. Strong atom-light interaction of cavity QED can be employed to generate NOON states with about 100 photons; which can then be used to boost the existing experimental Kerr nonlinearities based on quantum coherence effects to facilitate NOON generation with arbitrarily large number of photons all within the current experimental state of the art technology. We also offer an alternative scheme that uses an atom-cavity dispersive interaction to obtain sufficiently high Kerr-nonlinearity necessary for arbitrary NOON generation

Towards a Microscopic Model of Magnetoelectric Interactions in Ni3V2O8

We develop a microscopic magnetoelectric coupling in Ni$_3$V$_2$O$_8$ (NVO) which gives rise to the trilinear phenomenological coupling used previously to explain the phase transition in which magnetic and ferroelectric order parameters appear simultaneously. Using combined neutron scattering measurements and first-principles calculations of the phonons in NVO, we determine eleven phonons which can induce the observed spontaneous polarization. Among these eleven phonons, we find that a few of them can actually induce a significant dipole moment. Using the calculated atomic charges, we find that the required distortion to induce the observed dipole moment is very small (~0.001 \AA) and therefore it would be very difficult to observe the distortion by neutron-powder diffraction. Finally, we identify the derivatives of the exchange tensor with respect to atomic displacements which are needed for a microscopic model of a spin-phonon coupling in NVO and which we hope will be obtained from a fundamental quantum calculation such as LDA+U. We also analyze two toy models to illustrate that the Dzyaloskinskii-Moriya interaction is very important for coexisting of magnetic and ferroelectric order but it is not the only mechanism when the local site symmetry of the system is low enough.Comment: 20 pages, 10 figure