Comment on "Recurrences without closed orbits"

In a recent paper Robicheaux and Shaw [Phys. Rev. A 58, 1043 (1998)] calculate the recurrence spectra of atoms in electric fields with non-vanishing angular momentum not equal to 0. Features are observed at scaled actions ``an order of magnitude shorter than for any classical closed orbit of this system.'' We investigate the transition from zero to nonzero angular momentum and demonstrate the existence of short closed orbits with L_z not equal to 0. The real and complex ``ghost'' orbits are created in bifurcations of the ``uphill'' and ``downhill'' orbit along the electric field axis, and can serve to interpret the observed features in the quantum recurrence spectra.Comment: 2 pages, 1 figure, REVTE

Mode-coupling theory for structural and conformational dynamics of polymer melts

A mode-coupling theory for dense polymeric systems is developed which unifyingly incorporates the segmental cage effect relevant for structural slowing down and polymer chain conformational degrees of freedom. An ideal glass transition of polymer melts is predicted which becomes molecular-weight independent for large molecules. The theory provides a microscopic justification for the use of the Rouse theory in polymer melts, and the results for Rouse-mode correlators and mean-squared displacements are in good agreement with computer simulation results.Comment: 4 pages, 3 figures, Phys. Rev. Lett. in pres

Theoretical Analysis of the "Double-q" Magnetic Structure of CeAl2

A model involving competing short-range isotropic Heisenberg interactions is developed to explain the "double-q" magnetic structure of CeAl$_2$. For suitably chosen interactions, terms in the Landau expansion quadratic in the order parameters explain the condensation of incommensurate order at wavevectors in the star of (1/2 $-\delta$, 1/2 $+\delta$, 1/2)$(2\pi/a)$, where $a$ is the cubic lattice constant. We show that the fourth order terms in the Landau expansion lead to the formation of the so-called "double-q" magnetic structure in which long-range order develops simultaneously at two symmetry-related wavevectors, in striking agreement with the magnetic structure determinations. Based on the value of the ordering temperature and of the Curie-Weiss $\Theta$ of the susceptibility, we estimate that the nearest neighbor interaction $K_0$ is ferromagnetic, with $K_0/k=-11\pm 1$K and the next-nearest neighbor interaction $J$ is antiferromagnetic with $J/k=6 \pm 1$K. We also briefly comment on the analogous phenomenon seen in the similar system TmS.Comment: 22 pages, 6 figure

Structure of Colloid-Polymer Suspensions

We discuss structural correlations in mixtures of free polymer and colloidal particles based on a microscopic, 2-component liquid state integral equation theory. Whereas in the case of polymers much smaller than the spherical particles the relevant polymer degree of freedom is the center of mass, for polymers larger than the (nano-) particles conformational rearrangements need to be considered. They have the important consequence that the polymer depletion layer exhibits two widely different length scales, one of the order of the particle radius, the other of the order of the polymer radius or the polymer density screening length in dilute or semidilute concentrations, respectively. Their consequences on phase stability and structural correlations are discussed extensively.Comment: 37 pages, 17 figures; topical feature articl

Distorted Copulas: Constructions and Tail Dependence

Given a copula C, we examine under which conditions on an order isomorphism ψ of [0, 1] the distortion C ψ: [0, 1]2 → [0, 1], C ψ(x, y) = ψ{C[ψ−1(x), ψ−1(y)]} is again a copula. In particular, when the copula C is totally positive of order 2, we give a sufficient condition on ψ that ensures that any distortion of C by means of ψ is again a copula. The presented results allow us to introduce in a more flexible way families of copulas exhibiting different behavior in the tails

Finite size scaling for quantum criticality using the finite-element method

Finite size scaling for the Schr\"{o}dinger equation is a systematic approach to calculate the quantum critical parameters for a given Hamiltonian. This approach has been shown to give very accurate results for critical parameters by using a systematic expansion with global basis-type functions. Recently, the finite element method was shown to be a powerful numerical method for ab initio electronic structure calculations with a variable real-space resolution. In this work, we demonstrate how to obtain quantum critical parameters by combining the finite element method (FEM) with finite size scaling (FSS) using different ab initio approximations and exact formulations. The critical parameters could be atomic nuclear charges, internuclear distances, electron density, disorder, lattice structure, and external fields for stability of atomic, molecular systems and quantum phase transitions of extended systems. To illustrate the effectiveness of this approach we provide detailed calculations of applying FEM to approximate solutions for the two-electron atom with varying nuclear charge; these include Hartree-Fock, density functional theory under the local density approximation, and an "exact"' formulation using FEM. We then use the FSS approach to determine its critical nuclear charge for stability; here, the size of the system is related to the number of elements used in the calculations. Results prove to be in good agreement with previous Slater-basis set calculations and demonstrate that it is possible to combine finite size scaling with the finite-element method by using ab initio calculations to obtain quantum critical parameters. The combined approach provides a promising first-principles approach to describe quantum phase transitions for materials and extended systems.Comment: 15 pages, 19 figures, revision based on suggestions by referee, accepted in Phys. Rev.

Topological effects in ring polymers: A computer simulation study

Unconcatenated, unknotted polymer rings in the melt are subject to strong interactions with neighboring chains due to the presence of topological constraints. We study this by computer simulation using the bond-fluctuation algorithm for chains with up to N=512 statistical segments at a volume fraction \Phi=0.5 and show that rings in the melt are more compact than gaussian chains. A careful finite size analysis of the average ring size R \propto N^{\nu} yields an exponent \nu \approx 0.39 \pm 0.03 in agreement with a Flory-like argument for the topologica interactions. We show (using the same algorithm) that the dynamics of molten rings is similar to that of linear chains of the same mass, confirming recent experimental findings. The diffusion constant varies effectively as D_{N} \propto N^{-1.22(3) and is slightly higher than that of corresponding linear chains. For the ring sizes considered (up to 256 statistical segments) we find only one characteristic time scale \tau_{ee} \propto N^{2.0(2); this is shown by the collapse of several mean-square displacements and correlation functions onto corresponding master curves. Because of the shrunken state of the chain, this scaling is not compatible with simple Rouse motion. It applies for all sizes of ring studied and no sign of a crossover to any entangled regime is found.Comment: 20 Pages,11 eps figures, Late