Stiff polymer in monomer ensemble

We make use of the previously developed formalism for a monomer ensemble and include angular dependence of the segments of the polymer chains thus described. In particular we show how to deal with stiffness when the polymer chain is confined to certain regions. We investigate the stiffness from the perspectives of a differential equation, integral equations, or recursive relations for both continuum and lattice models. Exact analytical solutions are presented for two cases, whereas numerical results are shown for a third case.Comment: 10 pages, including 6 figure

Multifractality of the Feigenbaum attractor and fractional derivatives

It is shown that fractional derivatives of the (integrated) invariant measure of the Feigenbaum map at the onset of chaos have power-law tails in their cumulative distributions, whose exponents can be related to the spectrum of singularities $f(\alpha)$. This is a new way of characterizing multifractality in dynamical systems, so far applied only to multifractal random functions (Frisch and Matsumoto (J. Stat. Phys. 108:1181, 2002)). The relation between the thermodynamic approach (Vul, Sinai and Khanin (Russian Math. Surveys 39:1, 1984)) and that based on singularities of the invariant measures is also examined. The theory for fractional derivatives is developed from a heuristic point view and tested by very accurate simulations.Comment: 20 pages, 5 figures, J.Stat.Phys. in pres

A practical guide to density matrix embedding theory in quantum chemistry

Density matrix embedding theory (DMET) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In this work, we give a practically oriented and explicit description of the numerical and theoretical formulation of DMET. We also describe in detail how to perform self-consistent DMET optimizations. We explore different embedding strategies with and without a self-consistency condition in hydrogen rings, beryllium rings, and a sample S$_{\text{N}}$2 reaction. The source code for the calculations in this work can be obtained from \url{https://github.com/sebwouters/qc-dmet}.Comment: 41 pages, 10 figure

Dispersive stabilization of the inverse cascade for the Kolmogorov flow

It is shown by perturbation techniques and numerical simulations that the inverse cascade of kink-antikink annihilations, characteristic of the Kolmogorov flow in the slightly supercritical Reynolds number regime, is halted by the dispersive action of Rossby waves in the beta-plane approximation. For beta tending to zero, the largest excited scale is proportional to the logarithm of one over beta and differs strongly from what is predicted by standard dimensional phenomenology which ignores depletion of nonlinearity.Comment: 4 pages, LATEX, 3 figures. v3: revised version with minor correction

Proportion Regulation in Globally Coupled Nonlinear Systems

As a model of proportion regulation in differentiation process of biological system, globally coupled activator-inhibitor systems are studied. Formation and destabilization of one and two cluster state are predicted analytically. Numerical simulations show that the proportion of units of clusters is chosen within a finite range and it is selected depend on the initial condition.Comment: 11 pages (revtex format) and 5 figures (PostScript)

Analysis of Velocity Fluctuation in Turbulence based on Generalized Statistics

The numerical experiments of turbulence conducted by Gotoh et al. are analyzed precisely with the help of the formulae for the scaling exponents of velocity structure function and for the probability density function (PDF) of velocity fluctuations. These formulae are derived by the present authors with the multifractal aspect based on the statistics that are constructed on the generalized measures of entropy, i.e., the extensive R\'{e}nyi's or the non-extensive Tsallis' entropy. It is revealed that there exist two scaling regions separated by a crossover length, i.e., a definite length approximately of the order of the Taylor microscale. It indicates that the multifractal distribution of singularities in velocity gradient in turbulent flow is robust enough to produce scaling behaviors even for the phenomena out side the inertial range.Comment: 10 Pages, 5 figure

Metastable anions of dinitrobenzene: resonances for electron attachment and kinetic energy release

Attachment of free, low-energy electrons to dinitrobenzene (DNB) in the gas phase leads to DNB as well as several fragment anions. DNB, (DNB-H), (DNB-NO), (DNB-2NO), and (DNB-NO(2)) are found to undergo metastable (unimolecular) dissociation. A rich pattern of resonances in the yield of these metastable reactions versus electron energy is observed; some resonances are highly isomer-specific. Most metastable reactions are accompanied by large average kinetic energy releases (KER) that range from 0.5 to 1.32 eV, typical of complex rearrangement reactions, but (1,3-DNB-H)(-) features a resonance with a KER of only 0.06 eV for loss of NO. (1,3-DNB-NO)(-) offers a rare example of a sequential metastable reaction, namely, loss of NO followed by loss of CO to yield C(5)H(4)O(-) with a large KER of 1.32 eV. The G4(MP2) method is applied to compute adiabatic electron affinities and reaction energies for several of the observed metastable channels. (C) 2010 American Institute of Physics. [doi:10.1063/1.3514931

Anomalous diffusion as a signature of collapsing phase in two dimensional self-gravitating systems

A two dimensional self-gravitating Hamiltonian model made by $N$ fully-coupled classical particles exhibits a transition from a collapsing phase (CP) at low energy to a homogeneous phase (HP) at high energy. From a dynamical point of view, the two phases are characterized by two distinct single-particle motions : namely, superdiffusive in the CP and ballistic in the HP. Anomalous diffusion is observed up to a time $\tau$ that increases linearly with $N$. Therefore, the finite particle number acts like a white noise source for the system, inhibiting anomalous transport at longer times.Comment: 10 pages, Revtex - 3 Figs - Submitted to Physical Review

Logarithmic scaling in the near-dissipation range of turbulence

A logarithmic scaling for structure functions, in the form $S_p \sim [\ln (r/\eta)]^{\zeta_p}$, where $\eta$ is the Kolmogorov dissipation scale and $\zeta_p$ are the scaling exponents, is suggested for the statistical description of the near-dissipation range for which classical power-law scaling does not apply. From experimental data at moderate Reynolds numbers, it is shown that the logarithmic scaling, deduced from general considerations for the near-dissipation range, covers almost the entire range of scales (about two decades) of structure functions, for both velocity and passive scalar fields. This new scaling requires two empirical constants, just as the classical scaling does, and can be considered the basis for extended self-similarity

Exclusion of Tiny Interstellar Dust Grains from the Heliosphere

The distribution of interstellar dust grains (ISDG) observed in the Solar System depends on the nature of the interstellar medium-solar wind interaction. The charge of the grains couples them to the interstellar magnetic field (ISMF) resulting in some fraction of grains being excluded from the heliosphere while grains on the larger end of the size distribution, with gyroradii comparable to the size of the heliosphere, penetrate the termination shock. This results in a skewing the size distribution detected in the Solar System. We present new calculations of grain trajectories and the resultant grain density distribution for small ISDGs propagating through the heliosphere. We make use of detailed heliosphere model results, using three-dimensional (3-D) magnetohydrodynamic/kinetic models designed to match data on the shape of the termination shock and the relative deflection of interstellar neutral H and He flowing into the heliosphere. We find that the necessary inclination of the ISMF relative to the inflow direction results in an asymmetry in the distribution of the larger grains (0.1 micron) that penetrate the heliopause. Smaller grains (0.01 micron) are completely excluded from the Solar System at the heliopause.Comment: 5 pages, 5 figures, accepted for publication in the Solar Wind 12 conference proceeding