Long-time and unitary properties of semiclassical initial value representations

We numerically compare the semiclassical ``frozen Gaussian'' Herman-Kluk propagator [Chem. Phys. 91, 27 (1984)] and the ``thawed Gaussian'' propagator put forward recently by Baranger et al. [J. Phys. A 34, 7227 (2001)] by studying the quantum dynamics in some nonlinear one-dimensional potentials. The reasons for the lack of long time accuracy and norm conservation in the latter method are uncovered. We amend the thawed Gaussian propagator with a global harmonic approximation for the stability of the trajectories and demonstrate that this revised propagator is a true alternative to the Herman-Kluk propagator with similar accuracy.Comment: 14 pages, 4 figures, corrected typos and figure 1 (d

Electron-Ion Interaction Effects in Attosecond Time-Resolved Photoelectron Spectra

Photoionization by attosecond (as) extreme ultraviolet (xuv) pulses into the laser-dressed continuum of the ionized atom is commonly described in strong-field approximation (SFA), neglecting the Coulomb interaction between the emitted photoelectron (PE) and residual ion. By solving the time-dependent Sch\"{o}dinger equation (TDSE), we identify a temporal shift $\delta \tau$ in streaked PE spectra, which becomes significant at small PE energies. Within an eikonal approximation, we trace this shift to the combined action of Coulomb and laser forces on the released PE, suggesting the experimental and theoretical scrutiny of their coupling in streaked PE spectra. The initial state polarization effect by the laser pulse on the xuv streaked spectrum is also examined.Comment: 9 pages, Accepted by Phys. Rev.

Classification of phase transitions of finite Bose-Einstein condensates in power law traps by Fisher zeros

We present a detailed description of a classification scheme for phase transitions in finite systems based on the distribution of Fisher zeros of the canonical partition function in the complex temperature plane. We apply this scheme to finite Bose-systems in power law traps within a semi-analytic approach with a continuous one-particle density of states $\Omega(E)\sim E^{d-1}$ for different values of $d$ and to a three dimensional harmonically confined ideal Bose-gas with discrete energy levels. Our results indicate that the order of the Bose-Einstein condensation phase transition sensitively depends on the confining potential.Comment: 7 pages, 9 eps-figures, For recent information on physics of small systems see "http://www.smallsystems.de

Finite size corrections to scaling in high Reynolds number turbulence

We study analytically and numerically the corrections to scaling in turbulence which arise due to the finite ratio of the outer scale $L$ of turbulence to the viscous scale $\eta$, i.e., they are due to finite size effects as anisotropic forcing or boundary conditions at large scales. We find that the deviations \dzm from the classical Kolmogorov scaling $\zeta_m = m/3$ of the velocity moments \langle |\u(\k)|^m\rangle \propto k^{-\zeta_m} decrease like $\delta\zeta_m (Re) =c_m Re^{-3/10}$. Our numerics employ a reduced wave vector set approximation for which the small scale structures are not fully resolved. Within this approximation we do not find $Re$ independent anomalous scaling within the inertial subrange. If anomalous scaling in the inertial subrange can be verified in the large $Re$ limit, this supports the suggestion that small scale structures should be responsible, originating from viscosity either in the bulk (vortex tubes or sheets) or from the boundary layers (plumes or swirls)

Smoothing and Rothe's method for Stefan problems in enthalpy form

AbstractThe classical two-phase Stefan problem as well as its weak variational formulation model the connection between the different phases of the considered material by interface conditions at the occurring free boundary or by a jump of the enthalpy. One way to treat the corresponding discontinuous variational problems consists in its embedding into a family of continuous ones and applying some standard techniques to the chosen approximation problems. The aim of the present paper is to analyze a semi-discretization via Rothe's method and its convergence behavior in dependence of the smoothing parameter. While in Grossmann et al. (Optimization, in preparation) the treatment of the Stefan problem is based on the given variable, i.e. the temperature, here first a transformation via the smoothed enthalpy is applied. Numerical experiments indicate a higher stability of the discretization by Rothe's method. In addition, to avoid inner iterations a frozen coefficient approach as common in literature is used

Universality in fully developed turbulence

We extend the numerical simulations of She et al. [Phys.\ Rev.\ Lett.\ 70, 3251 (1993)] of highly turbulent flow with $15 \le$ Taylor-Reynolds number $Re_\lambda\le 200$ up to $Re_\lambda \approx 45000$, employing a reduced wave vector set method (introduced earlier) to approximately solve the Navier-Stokes equation. First, also for these extremely high Reynolds numbers $Re_\lambda$, the energy spectra as well as the higher moments -- when scaled by the spectral intensity at the wave number $k_p$ of peak dissipation -- can be described by {\it one universal} function of $k/k_p$ for all $Re_\lambda$. Second, the ISR scaling exponents $\zeta_m$ of this universal function are in agreement with the 1941 Kolmogorov theory (the better, the large $Re_\lambda$ is), as is the $Re_\lambda$ dependence of $k_p$. Only around $k_p$ viscous damping leads to slight energy pileup in the spectra, as in the experimental data (bottleneck phenomenon).Comment: 14 pages, Latex, 5 figures (on request), 3 tables, submitted to Phys. Rev.

Semiclassical Coherent States propagator

In this work, we derived a semiclassical approximation for the matrix elements of a quantum propagator in coherent states (CS) basis that avoids complex trajectories, it only involves real ones. For that propose, we used the, symplectically invariant, semiclassical Weyl propagator obtained by performing a stationary phase approximation (SPA) for the path integral in the Weyl representation. After what, for the transformation to CS representation SPA is avoided, instead a quadratic expansion of the complex exponent is used. This procedure also allows to express the semiclassical CS propagator uniquely in terms of the classical evolution of the initial point, without the need of any root search typical of Van Vleck Gutzwiller based propagators. For the case of chaotic Hamiltonian systems, the explicit time dependence of the CS propagator has been obtained. The comparison with a \textquotedbl{}realistic\textquotedbl{} chaotic system that derives from a quadratic Hamiltonian, the cat map, reveals that the expression here derived is exact up to quadratic Hamiltonian systems.Comment: 13 pages, 2 figure. Accepted for publication in PR

First Order Phase Transition in a Reaction-Diffusion Model With Open Boundary: The Yang-Lee Theory Approach

A coagulation-decoagulation model is introduced on a chain of length L with open boundary. The model consists of one species of particles which diffuse, coagulate and decoagulate preferentially in the leftward direction. They are also injected and extracted from the left boundary with different rates. We will show that on a specific plane in the space of parameters, the steady state weights can be calculated exactly using a matrix product method. The model exhibits a first-order phase transition between a low-density and a high-density phase. The density profile of the particles in each phase is obtained both analytically and using the Monte Carlo Simulation. The two-point density-density correlation function in each phase has also been calculated. By applying the Yang-Lee theory we can predict the same phase diagram for the model. This model is further evidence for the applicability of the Yang-Lee theory in the non-equilibrium statistical mechanics context.Comment: 10 Pages, 3 Figures, To appear in Journal of Physics A: Mathematical and Genera

Variability in infants' functional brain network connectivity is associated with differences in affect and behavior

Variability in functional brain network connectivity has been linked to individual differences in cognitive, affective, and behavioral traits in adults. However, little is known about the developmental origins of such brain-behavior correlations. The current study examined functional brain network connectivity and its link to behavioral temperament in typically developing newborn and 1-month-old infants (M [age] = 25 days; N = 75) using functional near-infrared spectroscopy (fNIRS). Specifically, we measured long-range connectivity between cortical regions approximating fronto-parietal, default mode, and homologous-interhemispheric networks. Our results show that connectivity in these functional brain networks varies across infants and maps onto individual differences in behavioral temperament. Specifically, connectivity in the fronto-parietal network was positively associated with regulation and orienting behaviors, whereas connectivity in the default mode network showed the opposite effect on these behaviors. Our analysis also revealed a significant positive association between the homologous-interhemispheric network and infants' negative affect. The current results suggest that variability in long-range intra-hemispheric and cross-hemispheric functional connectivity between frontal, parietal, and temporal cortex is associated with individual differences in affect and behavior. These findings shed new light on the brain origins of individual differences in early-emerging behavioral traits and thus represent a viable novel approach for investigating developmental trajectories in typical and atypical neurodevelopment

Variable Curvature Slab Molecular Dynamics as a Method to Determine Surface Stress

A thin plate or slab, prepared so that opposite faces have different surface stresses, will bend as a result of the stress difference. We have developed a classical molecular dynamics (MD) formulation where (similar in spirit to constant-pressure MD) the curvature of the slab enters as an additional dynamical degree of freedom. The equations of motion of the atoms have been modified according to a variable metric, and an additional equation of motion for the curvature is introduced. We demonstrate the method to Au surfaces, both clean and covered with Pb adsorbates, using many-body glue potentials. Applications to stepped surfaces, deconstruction and other surface phenomena are under study.Comment: 16 pages, 8 figures, REVTeX, submitted to Physical Review