Fourier Acceleration of Langevin Molecular Dynamics

Fourier acceleration has been successfully applied to the simulation of lattice field theories for more than a decade. In this paper, we extend the method to the dynamics of discrete particles moving in continuum. Although our method is based on a mapping of the particles' dynamics to a regular grid so that discrete Fourier transforms may be taken, it should be emphasized that the introduction of the grid is a purely algorithmic device and that no smoothing, coarse-graining or mean-field approximations are made. The method thus can be applied to the equations of motion of molecular dynamics (MD), or its Langevin or Brownian variants. For example, in Langevin MD simulations our acceleration technique permits a straightforward spectral decomposition of forces so that the long-wavelength modes are integrated with a longer time step, thereby reducing the time required to reach equilibrium or to decorrelate the system in equilibrium. Speedup factors of up to 30 are observed relative to pure (unaccelerated) Langevin MD. As with acceleration of critical lattice models, even further gains relative to the unaccelerated method are expected for larger systems. Preliminary results for Fourier-accelerated molecular dynamics are presented in order to illustrate the basic concepts. Possible extensions of the method and further lines of research are discussed.Comment: 11 pages, two illustrations included using graphic

Approach to equilibrium for a class of random quantum models of infinite range

We consider random generalizations of a quantum model of infinite range introduced by Emch and Radin. The generalization allows a neat extension from the class $l_1$ of absolutely summable lattice potentials to the optimal class $l_2$ of square summable potentials first considered by Khanin and Sinai and generalised by van Enter and van Hemmen. The approach to equilibrium in the case of a Gaussian distribution is proved to be faster than for a Bernoulli distribution for both short-range and long-range lattice potentials. While exponential decay to equilibrium is excluded in the nonrandom $l_1$ case, it is proved to occur for both short and long range potentials for Gaussian distributions, and for potentials of class $l_2$ in the Bernoulli case. Open problems are discussed.Comment: 10 pages, no figures. This last version, to appear in J. Stat. Phys., corrects some minor errors and includes additional references and comments on the relation to experiment

Lattice Sigma Models with Exact Supersymmetry

We show how to construct lattice sigma models in one, two and four dimensions which exhibit an exact fermionic symmetry. These models are discretized and {\it twisted} versions of conventional supersymmetric sigma models with N=2 supersymmetry. The fermionic symmetry corresponds to a scalar BRST charge built from the original supercharges. The lattice theories possess local actions and in many cases admit a Wilson term to suppress doubles. In the two and four dimensional theorie s we show that these lattice theories are invariant under additional discrete symmetries. We argue that the presence of these exact symmetries ensures that no fine tuning is required to achieve N=2 supersymmetry in the continuum limit. As a concrete example we show preliminary numerical results from a simulation of the O(3) supersymmetric sigma model in two dimensions.Comment: 23 pages, 3 figures, formalism generalized to allow for explicit Wilson mass terms. New numerical results added. Version to be published in JHE

Modeling parasite dynamics on farmed salmon for precautionary conservation management of wild salmon

Conservation management of wild fish may include fish health management in sympatric populations of domesticated fish in aquaculture. We developed a mathematical model for the population dynamics of parasitic sea lice (Lepeophtheirus salmonis) on domesticated populations of Atlantic salmon (Salmo salar) in the Broughton Archipelago region of British Columbia. The model was fit to a seven-year dataset of monthly sea louse counts on farms in the area to estimate population growth rates in relation to abiotic factors (temperature and salinity), local host density (measured as cohort surface area), and the use of a parasiticide, emamectin benzoate, on farms. We then used the model to evaluate management scenarios in relation to policy guidelines that seek to keep motile louse abundance below an average three per farmed salmon during the March-June juvenile wild Pacific salmon (Oncorhynchus spp.) migration. Abiotic factors mediated the duration of effectiveness of parasiticide treatments, and results suggest treatment of farmed salmon conducted in January or early February minimized average louse abundance per farmed salmon during the juvenile wild salmon migration. Adapting the management of parasites on farmed salmon according to migrations of wild salmon may therefore provide a precautionary approach to conserving wild salmon populations in salmon farming regions

Logarithmic two-loop corrections to the Lamb shift in hydrogen

Higher order $(\alpha/\pi)^2 (Z \alpha)^6$ logarithmic corrections to the hydrogen Lamb shift are calculated. The results obtained show the two-loop contribution has a very peculiar behavior, and significantly alter the theoretical predictions for low lying S-states.Comment: 14 pages, including 2 figures, submitted to Phys. Rev. A, updated with minor change

Recoil correction to the ground state energy of hydrogenlike atoms

The recoil correction to the ground state energy of hydrogenlike atoms is calculated to all orders in \alpha Z in the range Z = 1-110. The nuclear size corrections to the recoil effect are partially taken into account. In the case of hydrogen, the relativistic recoil correction beyond the Salpeter contribution and the nonrelativistic nuclear size correction to the recoil effect, amounts to -7.2(2) kHz. The total recoil correction to the ground state energy in hydrogenlike uranium (^{238}U^{91+}) constitutes 0.46 eV.Comment: 16 pages, 1 figure (eps), Latex, submitted to Phys.Rev.

Baryon Charge Radii and Quadrupole Moments in the 1/N_c Expansion: The 3-Flavor Case

We develop a straightforward method to compute charge radii and quadrupole moments for baryons both with and without strangeness, when the number of QCD color charges is N_c. The minimal assumption of the single-photon exchange ansatz implies that only two operators are required to describe these baryon observables. Our results are presented so that SU(3) flavor and isospin symmetry breaking can be introduced according to any desired specification, although we also present results obtained from two patterns suggested by the quark model with gluon exchange interactions. The method also permits to extract a number of model-independent relations; a sample is r^2_Lambda / r_n^2 = 3/(N_c+3), independent of SU(3) symmetry breaking.Comment: 30 pages, no figures, REVTeX

Nucleon Axial Form Factor from Lattice QCD

Results for the isovector axial form factors of the proton from a lattice QCD calculation are presented for both point-split and local currents. They are obtained on a quenched $16^{3} \times 24$ lattice at $\beta= 6.0$ with Wilson fermions for a range of quark masses from strange to charm. We determine the finite lattice renormalization for both the local and point-split currents of heavy quarks. Results extrapolated to the chiral limit show that the $q^2$ dependence of the axial form factor agrees reasonably well with experiment. The axial coupling constant $g_A$ calculated for the local and the point-split currents is about 6\% and 12\% smaller than the experimental value respectively.Comment: 8 pages, 5 figures (included in part 2), UK/93-0

Multiplicativity of completely bounded p-norms implies a new additivity result

We prove additivity of the minimal conditional entropy associated with a quantum channel Phi, represented by a completely positive (CP), trace-preserving map, when the infimum of S(gamma_{12}) - S(gamma_1) is restricted to states of the form gamma_{12} = (I \ot Phi)(| psi >< psi |). We show that this follows from multiplicativity of the completely bounded norm of Phi considered as a map from L_1 -> L_p for L_p spaces defined by the Schatten p-norm on matrices; we also give an independent proof based on entropy inequalities. Several related multiplicativity results are discussed and proved. In particular, we show that both the usual L_1 -> L_p norm of a CP map and the corresponding completely bounded norm are achieved for positive semi-definite matrices. Physical interpretations are considered, and a new proof of strong subadditivity is presented.Comment: Final version for Commun. Math. Physics. Section 5.2 of previous version deleted in view of the results in quant-ph/0601071 Other changes mino