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chao-dyn/9409001
Scaling and Dissipation in the GOY Shell Model
This is a paper about multi-fractal scaling and dissipation in a shell model of turbulence, called the GOY model. This set of equations describes a one dimensional cascade of energy towards higher wave vectors. When the model is chaotic, the high-wave-vector velocity is a product of roughly independent multipliers, one...
1994-09-08
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Leo Kadanoff (The James Franck Institute, The University of Chicago), Detlef Lohse (The James Franck Institute, The University of Chicago), Jane Wang (The James Franck Institute, The University of Chicago), Roberto Benzi (Department of Physics, University of Rome ``Tor Vergata'')
chao-dyn/9408005
Inclusion of Diffraction Effects in the Gutzwiller Trace Formula
The Gutzwiller trace formula is extended to include diffraction effects. The new trace formula involves periodic rays which have non-geometrical segments as a result of diffraction on the surfaces and edges of the scatter.
1994-08-30
2016-08-14
[ "chao-dyn", "cond-mat", "nlin.CD" ]
G. Vattay (Institute for Solid State Physics, E\"otv\"os University, M\'uzeum krt. 6-8, H-1088 Budapest, Hungary), A. Wirzba (Institut f\"ur Kernphysik, Technische Hochschule, Schlo{\ss}gartenstr. 9, D-64289 Darmstadt, Germany) and P.E. Rosenqvist (Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen O, Den...
chao-dyn/9408004
Averaged equations for Josephson junction series arrays with LRC load
We derive the averaged equations describing a series array of Josephson junctions shunted by a parallel inductor-resistor-capacitor load. We assume that the junctions have negligable capacitance ($\beta = 0$), and derive averaged equations which turn out to be completely tractable: in particular the stability of both i...
1994-08-26
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Kurt Wiesenfeld (Georgia Tech), and James W. Swift (Northern Arizona University)
chao-dyn/9408003
Temperature spectra in shear flow and thermal convection
We show that the $P_u(\om) \propto \om^{-7/3}$ shear velocity power spectrum gives rise to a $P_\Theta (\om ) \propto \om^{-4/3}$ power spectrum for a passively advected scalar, as measured in experiment [K. Sreenivasan, Proc. R. Soc. London A {\bf 434}, 165 (1991)]. Applying our argument to high Rayleigh number Raylei...
1994-08-25
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Detlef Lohse (The James Franck Institute, The University of Chicago, Chicago, IL, USA)
chao-dyn/9408002
Weakly Chaotic Population Dynamics in Random Ecological Networks
Population dynamics in random ecological networks are investigated by analyzing a simple deterministic equation. It is found that a sequence of abrupt changes of populations punctuating quiescent states characterize the long time behavior. An asymptotic analysis is developed by introducing a log-scaled time, and it is ...
1994-08-10
2008-02-03
[ "chao-dyn", "nlin.CD", "q-bio" ]
Shin-ichi Sasa (Department of physics, Kyoto University, Kyoto 606, Japan; Address as of Aug. 16, 1994: Department of Pure and Applied Sciences,College of Arts and Sciences, University of Tokyo,Komaba, Meguro-ku, Tokyo 153, Japan), and Tsuyoshi Chawanya (Yukawa Institute for Theoretical Physics, Kyoto 606, Japa...
chao-dyn/9408001
Non-deterministic chaos
Non-deterministic chaos is a new dynamical paradigm where a non-deterministic system is influenced by random perturbations to produce the appearance of complexity. The non-determinism is envisioned to occur only at a single point in phase space, where many trajectories intersect. In the presence of external random pert...
1994-08-08
2008-02-03
[ "chao-dyn", "nlin.CD" ]
D. D. Dixon (Institute for Geophysics and Planetary Physics, University of California, Riverside)
chao-dyn/9407020
Conditions on the Existence of Localized Excitations in Nonlinear Discrete Systems
We use recent results that localized excitations in nonlinear Hamiltonian lattices can be viewed and described as multiple-frequency excitations. Their dynamics in phase space takes place on tori of corresponding dimension. For a one-dimensional Hamiltonian lattice with nearest neighbour interaction we transform the pr...
1994-08-04
2009-10-22
[ "chao-dyn", "nlin.CD" ]
S. Flach
chao-dyn/9407019
Corrections to universal scaling in real maps
I discuss the universal aspects of scaling in period-doubling sequences in families of maps of the real line possessing non-integer degree. I show that the scaling behaviour in both the orbital and parameter spaces is governed by the same sequence of eigenvalues of the linearized renormalization operator. These eigenva...
1994-08-04
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Keith Briggs
chao-dyn/9407018
Simple Maps with Fractal Diffusion Coefficients
We consider chains of one-dimensional, piecewise linear, chaotic maps with uniform slope. We study the diffusive behaviour of an initially nonuniform distribution of points as a function of the slope of the map by solving Frobenius-Perron equation. For Markov partition values of the slope, we relate the diffusion coeff...
1994-08-03
2009-10-22
[ "chao-dyn", "nlin.CD" ]
R. Klages (Inst. f. Theoret. Physik, TU Berlin) and J.R. Dorfman (IPST, Univ. of Maryland)
chao-dyn/9407017
Stability of Wavelengths and Spatiotemporal Intermittency in Coupled Map Lattices
In relation to spatiotemporal intermittency, as it can be observed in coupled map lattices, we study the stability of different wavelengths in competition. Introducing a two dimensional map, we compare its dynamics with the one of the whole lattice. We conclude a good agreement between the two. The reduced model also a...
1994-08-01
2009-10-22
[ "chao-dyn", "nlin.CD" ]
A. Lambert, R. Lima
chao-dyn/9407016
Anisotropy and scaling corrections in turbulence
Two parametrizations for second order velocity moments, the Batchelor parametrization for the r-space structure function and a common parametrization for the energy spectrum, $E(p)\propto p^{-5/3}\exp(-p/p_d)$, are examined and compared. In particular, we investigate corrections to the local scaling exponents induced b...
1994-07-29
2008-02-03
[ "chao-dyn", "nlin.CD" ]
Detlef Lohse (1) and Axel M\"uller-Groeling (2) ((1) The James Franck Institute, The University of Chicago, Chicago, IL, USA; (2) Department of Physics, University of Toronto, Toronto, Ontario, Canada)
chao-dyn/9407014
A Solvable Nonlinear Reaction-Diffusion Model
We construct a coupled set of nonlinear reaction-diffusion equations which are exactly solvable. The model generalizes both the Burger equation and a Boltzman reaction equation recently introduced by Th. W. Ruijgrok and T. T. Wu.
1994-07-29
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Max-Olivier Hongler, Ricardo Lima
chao-dyn/9407015
A Stochastic Process for the Dynamics of the Turbulent Cascade
Velocity increments over a distance r and turbulent energy dissipation on a box of size r are well described by the multifractal models of fully developed turbulence. These quantities and models however, do not involve time-correlations and therefore are not a detailed test of the dynamics of the turbulent cascade. If ...
1994-07-29
2008-02-03
[ "chao-dyn", "nlin.CD" ]
R. Lima, R. Vilela Mendes
chao-dyn/9407013
Exact Lyapunov Exponent for Infinite Products of Random Matrices
In this work, we give a rigorous explicit formula for the Lyapunov exponent for some binary infinite products of random $2\times 2$ real matrices. All these products are constructed using only two types of matrices, $A$ and $B$, which are chosen according to a stochastic process. The matrix $A$ is singular, namely its ...
1994-07-26
2009-10-22
[ "chao-dyn", "nlin.CD" ]
R. Lima, M. Rahibe
chao-dyn/9407012
Texture Segmentation by Local Bi-Orthogonal Decomposition
We investigate the ability of a local bi-orthogonal decomposition to build texture segmentation of images. Using the structures associated to the local decomposition of the image independent row and columns we perform a segmentation, where the regions are defined by the property of having a smooth variation of the corr...
1994-07-26
2008-02-03
[ "chao-dyn", "nlin.CD" ]
J.A. Dente, R. Vilela Mendes, R. Lima
chao-dyn/9407011
Dynamic Scaling Function at the Quasiperiodic Transition to Chaos
We obtain a five-step approximation to the quasiperiodic dynamic scaling function for experimental Rayleigh-Be'nard convection data. When errors are taken into account in the experiment, the f(alpha) spectrum of scalings is equivalent to just two of these five scales. To overcome this limitation, we develop a robust te...
1994-07-25
2015-06-24
[ "chao-dyn", "nlin.CD" ]
Ronnie Mainieri and Robert Ecke
chao-dyn/9407010
The Limits of Mathematics---Extended Abstract
We summarize four different versions of our course notes on the limits of mathematics.
1994-07-25
2008-02-03
[ "chao-dyn", "nlin.CD" ]
G.J. Chaitin (IBM Research Division)
chao-dyn/9407009
The Limits of Mathematics---Fourth Version
This is yet another version of the course notes in chao-dyn/9407003. Here we use m-expressions more aggressively to further reduce the constants in our information-theoretic incompleteness theorems. Our main theorems are: 1) an N-bit formal axiomatic system cannot enable one to exhibit any specific object with program-...
1994-07-23
2008-02-03
[ "chao-dyn", "nlin.CD" ]
G.J. Chaitin (IBM Research Division)
chao-dyn/9407008
Rayleigh-B\'{e}nard Convection; Patterns, Chaos, Spatiotemporal Chaos and Turbulence
A coupled map lattice for convection is proposed, which consists of Eulerian and Lagrangian procedures. Simulations of the model not only reproduce a wide-range of phenomena in Rayleigh-B\'{e}nard convection experiments but also lead to several prediction of novel phenomena there: For small aspect ratios, the formation...
1994-07-22
2015-06-24
[ "chao-dyn", "nlin.CD", "nlin.PS", "patt-sol" ]
Tatsuo Yanagita (Tokyo Institute of Technology) and Kunihiko Kaneko (University of Tokyo)
chao-dyn/9407007
Characterization of the transition from defect- to phase-turbulence
For the complex Ginzburg-Landau equation on a large periodic interval, we show that the transition from defect- to phase-turbulence is more accurately described as a smooth crossover rather than as a sharp continuous transition. We obtain this conclusion by using a powerful parallel computer to calculate various order ...
1994-07-21
2009-10-22
[ "chao-dyn", "nlin.CD", "nlin.PS", "patt-sol" ]
David A. Egolf (Department of Physics and Center for Nonlinear and Complex Systems, Duke University) and Henry S. Greenside (Departments of Physics and Computer Science and Center for Nonlinear and Complex Systems, Duke University)
chao-dyn/9407006
The Limits of Mathematics---Third Version
This is yet another version of the course notes in chao-dyn/9407003. Here we change the universal Turing machine that is used to measure program-size complexity so that the constants in our information-theoretic incompleteness theorems are further reduced. This is done by inventing a more complicated version of lisp in...
1994-07-20
2008-02-03
[ "chao-dyn", "nlin.CD" ]
G.J. Chaitin (IBM Research Division)
chao-dyn/9407005
The Limits of Mathematics---Alternative Version
This is an alternative version of the course notes in chao-dyn/9407003. The previous version is based on measuring the size of lisp s-expressions. This version is based on measuring the size of what I call lisp m-expressions, which are lisp s-expressions with most parentheses omitted. This formulation of algorithmic in...
1994-07-17
2008-02-03
[ "chao-dyn", "nlin.CD" ]
G.J. Chaitin (IBM Research Division)
chao-dyn/9407004
Nonlinear dynamics in one and two dimensional arrays of discrete Josephson elements
Discrete arrays of Josephson junction elements differ from their continuum counterparts in two essential ways: i) localized dynamic states in discrete arrays, which are not present in the corresponding continuum system, can interact with other excitations that are present; ii) fluxoid quantization for the non-supercond...
1994-07-11
2008-02-03
[ "chao-dyn", "nlin.CD" ]
R. D. Parmentier (Department of Physics, University of Salerno, I-84081 Baronissi (SA), Italy)
chao-dyn/9407003
The Limits of Mathematics---The Book
This is a revised version of the course notes handed to each participant at the limits of mathematics short course, Orono, Maine, June 1994.
1994-07-07
2008-02-03
[ "chao-dyn", "nlin.CD" ]
G.J. Chaitin (IBM Research Division)
chao-dyn/9407002
Remarks on the mean field dynamics of networks of chaotic elements
Fluctuations of the mean field of a globally coupled dynamical systems are discussed. The origin of hidden coherence is related with the instability of the fixed point solution of the self-consistent Perron-Frobenius equation. Collective dynamics in globally coupled tent maps are re-examined, both with the help of dire...
1994-07-07
2015-06-24
[ "chao-dyn", "nlin.CD" ]
Kunihiko Kaneko (University of Tokyo)
chao-dyn/9407001
Pattern Dynamics of a Coupled Map Lattice for Open Flow
The pattern dynamics of the one-way coupled logistic lattice which can serve as a phenomenological model for open flow is investigated and shown to be extremely rich. For medium and large coupling strengths, we find spatially periodic, quasiperiodic and chaotic patterns with temporal periodicity and analyze their stabi...
1994-07-06
2015-06-24
[ "chao-dyn", "adap-org", "nlin.AO", "nlin.CD", "nlin.PS", "patt-sol" ]
Frederick H. Willeboordse (University of Tokyo), Kunihiko Kaneko (University of Tokyo)
chao-dyn/9406012
Power law velocity fluctuations due to inelastic collisions in numerically simulated vibrated bed of powder}
Distribution functions of relative velocities among particles in a vibrated bed of powder are studied both numerically and theoretically. In the solid phase where granular particles remain near their local stable states, the probability distribution is Gaussian. On the other hand, in the fluidized phase, where the part...
1994-06-29
2009-10-22
[ "chao-dyn", "cond-mat", "nlin.CD" ]
Y-h. Taguchi(Department of Physics, Tokyo Institute of Technology, Oh-okayama, Meguro-ku, Tokyo 152, Japan), Hideki Takayasu(Graduate School of Information Sciences, Tohoku University,Aoba-ku, Sendai 980-77, Japan)
chao-dyn/9406013
Belavkin-Kolokoltsov watch-dog effects in interactively controlled stochastic computer-graphic dynamic systems
Stochastic properties of the long time behavior of a continuously observed (and interactively controlled) quantum--field top are investigated mathematically. Applications to interactively controlled stochastic computerographical dynamic systems are discussed.
1994-06-29
2008-02-03
[ "chao-dyn", "adap-org", "nlin.AO", "nlin.CD" ]
Denis Juriev (Mathematical Division, Research Institute for System Studies, Russian Academy of Sciences, Moscow, Russia and Laboratoire de Physique Theorique de l'Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris Cedex 05, France)
chao-dyn/9406011
Chaos and Noise in a Truncated Toda Potential
Results are reported from a numerical investigation of orbits in a truncated Toda potential which is perturbed by weak friction and noise. Two significant conclusions are shown to emerge: (1) Despite other nontrivial behaviour, configuration, velocity, and energy space moments associated with these perturbations exhibi...
1994-06-26
2016-04-06
[ "chao-dyn", "astro-ph", "nlin.CD" ]
Salman Habib, Henry E. Kandrup, and M. Elaine Mahon
chao-dyn/9406010
Symplectic Calculation of Lyapunov Exponents
The Lyapunov exponents of a chaotic system quantify the exponential divergence of initially nearby trajectories. For Hamiltonian systems the exponents are related to the eigenvalues of a symplectic matrix. We make use of this fact to develop a new method for the calculation of Lyapunov exponents of such systems. Our ap...
1994-06-26
2009-10-22
[ "chao-dyn", "gr-qc", "nlin.CD" ]
Salman Habib and Robert D. Ryne
chao-dyn/9406009
Stability Limit for Mode-I Fracture
In order to study the stability of mode-I fracture, we consider a crack moving along the centerline of a very wide strip and compute its steady-state response to a small, spatially periodic shear stress. We find that, in the presence of this perturbation, the crack remains very nearly straight up to a critical speed $v...
1994-06-23
2008-02-03
[ "chao-dyn", "nlin.CD" ]
Emily S. C. Ching (Dept. of Physics, The Chinese University of Hong Kong, Hong Kong), J. S. Langer (Institute for Theoretical Physics, University of California, Santa Barbara, CA)
chao-dyn/9406008
Coupled Analytic Maps
We consider a lattice of weakly coupled expanding circle maps. We construct, via a cluster expansion of the Perron-Frobenius operator, an invariant measure for these infinite dimensional dynamical systems which exhibits space-time-chaos.
1994-06-22
2009-10-22
[ "chao-dyn", "nlin.CD" ]
J.Bricmont (UCL, Physique Th\'eorique, B-1348, Louvain-la-Neuve, Belgium), A.Kupiainen (Helsinki University, Department of Mathematics, Helsinki 00014, Finland)
chao-dyn/9406007
Periodic orbit asymptotics for intermittent Hamiltonian systems
We address the problems in applying cycle expansions to bound chaotic systems, caused by e.g. intermittency and incompleteness of the symbolic dynamics. We discuss zeta functions associated with weighted evolution operators and in particular a one-parameter family of weights relevant for the calculation of classical re...
1994-06-17
2015-06-24
[ "chao-dyn", "nlin.CD" ]
Per Dahlqvist (KTH, Stockholm)
chao-dyn/9406006
The Phase of the Riemann Zeta Function and the Inverted Harmonic Oscillator
The Argand diagram is used to display some characteristics of the Riemann Zeta function. The zeros of the Zeta function on the complex plane give rise to an infinite sequence of closed loops, all passing through the origin of the diagram. This leads to the analogy with the scattering amplitude, and an approximate rule ...
1994-06-16
2009-10-22
[ "chao-dyn", "hep-th", "nlin.CD" ]
R.K. Bhaduri(Department of Physics and Astronomy, McMaster University,Hamilton, Ontario, Canada L8S 4M1), Avinash Khare(Institute of Physics, Sachivalaya Marg, Bhubaneswar-751 005, India.), and J. Law( Guelph Waterloo Program for Graduate Work in Physics, Physics Department, University of Guelph, Guelph, Ont, N...
chao-dyn/9406005
Differential equations to compute $\hbar$ corrections of the trace formula
In this paper a new method for computation of higher order corrections to the saddle point approximation of the Feynman path integral is discussed. The saddle point approximation leads to local Schr\"odinger problems around classical orbits. Especially, the saddle point approximation leads to Schr\"odinger problems aro...
1994-06-14
2008-02-03
[ "chao-dyn", "hep-th", "nlin.CD" ]
Gabor Vattay (E\"otv\"os University, Department of Solid State Physics, H-1088 Budapest, M\'uzeum krt. 6-8, Hungary )
chao-dyn/9406004
Nonlinear Resonances in the Solar System
Orbital resonances are ubiquitous in the Solar system. They play a decisive role in the long term dynamics, and in some cases the physical evolution, of the planets and of their natural satellites, as well as the evolution of small bodies (including dust) in the planetary system. The few-body gravitational problem of h...
1994-06-13
2009-10-22
[ "chao-dyn", "astro-ph", "nlin.CD" ]
Renu Malhotra (Lunar & Planetary Institute)
chao-dyn/9406003
Riemann zeta function is a fractal
Voronin's theorem on the `Universality'' of Riemann zeta function is shown to imply that Riemann zeta function is a fractal (in the sense that Mandelbrot set is a fractal) and a concrete ``representation'' of the ``giant book of theorems'' that Paul Halmos referred to.
1994-06-11
2008-02-03
[ "chao-dyn", "nlin.CD" ]
S.C.Woon (Imperial College, Blackett Lab, London SW7 2BZ)
chao-dyn/9406001
Complexity of Trajectories in Rectangular Billiards
Revised version: some minor errors and typos fixed; exposition watered. Abstract: To a trajectory of a billiard in parallelogram we assign its symbolic trajectory - the sequence of numbers of coordinate plane, to which the faces met by the trajectory are parallel. The complexity of the trajectory is the number of diffe...
1994-06-09
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Yuliy Baryshnikov
chao-dyn/9406002
The Berry Paradox
Lecture given Wednesday 27 October 1993 at a Physics -- Computer Science Colloquium at the University of New Mexico. The lecture was videotaped; this is an edited transcript. It also incorporates remarks made at the Limits to Scientific Knowledge meeting held at the Santa Fe Institute 24--26 May 1994.
1994-06-09
2015-06-24
[ "chao-dyn", "nlin.CD" ]
G.J. Chaitin (IBM Research)
chao-dyn/9405013
Effective Action Method for Langevin Equation
In this paper we present a formulation of the nonlinear stochastic differential equation which allows for systematic approximations. The method is not restricted to the asymptotic, i.e., stationary, regime but can be applied to derive effective equations describing the relaxation of the system from arbitrary initial co...
1994-06-02
2009-10-22
[ "chao-dyn", "cond-mat", "nlin.CD" ]
A. Crisanti and U. Marini Bettolo Marconi
chao-dyn/9405012
Stochastic Resonance in Deterministic Chaotic Systems
We propose a mechanism which produces periodic variations of the degree of predictability in dynamical systems. It is shown that even in the absence of noise when the control parameter changes periodically in time, below and above the threshold for the onset of chaos, stochastic resonance effects appears. As a result o...
1994-05-20
2009-10-22
[ "chao-dyn", "cond-mat", "nlin.CD" ]
A. Crisanti, M. Falcioni, G. Paladin and A. Vulpiani
chao-dyn/9405010
Chaotic Scattering Theory of Transport and Reaction-Rate Coefficients
The chaotic scattering theory is here extended to obtain escape-rate expressions for the transport coefficients appropriate for a simple classical fluid, or for a chemically reacting system. This theory allows various transport coefficients such as the coefficients of viscosity, thermal conductivity, etc., to be expres...
1994-05-16
2009-10-22
[ "chao-dyn", "nlin.CD" ]
J.R. Dorfman and P. Gaspard
chao-dyn/9405011
Bifurcations of two coupled classical spin oscillators
Two classical, damped and driven spin oscillators with an isotropic exchange interaction are considered. They represent a nontrivial physical system whose equations of motion are shown to allow for an analytic treatment of local codimension 1 and 2 bifurcations. In addition, numerical results are presented which exhibi...
1994-05-16
2016-08-14
[ "chao-dyn", "nlin.CD" ]
B.Rumpf and H.Sauermann (Theoretische Festk\"orperphysik, Technische Hochschule Darmstadt, Hochschulstra{\ss}e 8, D-64289 Darmstadt, Germany)
chao-dyn/9405009
Bifurcations in Globally Coupled Map Lattices
The dynamics of globally coupled map lattices can be described in terms of a nonlinear Frobenius--Perron equation in the limit of large system size. This approach allows for an analytical computation of stationary states and their stability. The complete bifurcation behaviour of coupled tent maps near the chaotic band ...
1994-05-15
2016-08-14
[ "chao-dyn", "nlin.CD" ]
Wolfram Just (Theoretische Festk\"orperphysik, Technische Hochschule Darmstadt, Hochschulstra{\ss}e 8, D-64289 Darmstadt, Germany)
chao-dyn/9405008
Globally Coupled Maps: Almost Analytical Treatment of Phase Transitions
Bifurcations in a system of coupled maps are investigated. Using symbolic dynamics it is proven that for coupled shift maps the well known space--time--mixing attractor becomes unstable at a critical coupling strength in favour of a synchronized state. For coupled non--hyperbolic maps analytical and numerical evidence ...
1994-05-15
2016-08-14
[ "chao-dyn", "nlin.CD" ]
Wolfram Just (Theoretische Festk\"orperphysik, Technische Hochschule Darmstadt, Hochschulstra{\ss}e 8, D-64289 Darmstadt, Germany)
chao-dyn/9405007
Self-organized Periodic Lattices of Chaotic Defects
A novel type of self-organized lattice in which chaotic defects are arranged periodically is reported for a coupled map model of open flow. We find that temporally chaotic defects are followed by spatial relaxation to an almost periodic state when suddenly a next defect appears. The distance between successive defects ...
1994-05-12
2009-10-22
[ "chao-dyn", "adap-org", "nlin.AO", "nlin.CD" ]
Frederick H. Willeboordse (University of Tokyo), Kunihiko Kaneko (University of Tokyo)
chao-dyn/9405005
Defect--Defect Correlation Functions, Generic Scale Invariance, and the Complex Ginzburg--Landau Equation
We present a calculation of defect--defect correlation functions in the defect turbulence regime of the complex Ginzburg--Landau equation. Our results do not agree with the predictions of generic scale invariance. Using the topological nature of the defects, we prove that defect--defect correlations cannot decay as slo...
1994-05-11
2008-02-03
[ "chao-dyn", "nlin.CD" ]
Bruce W. Roberts, Eberhard Bodenschatz, and James P. Sethna
chao-dyn/9405006
Statistical Mechanics of Shell Models for 2D-Turbulence
We study shell models that conserve the analogues of energy and enstrophy, hence designed to mimic fluid turbulence in 2D. The main result is that the observed state is well described as a formal statistical equilibrium, closely analogous to the approach to two-dimensional ideal hydrodynamics of Onsager, Hopf and Lee. ...
1994-05-11
2009-10-22
[ "chao-dyn", "cond-mat", "nlin.CD" ]
E. Aurell, G. Boffetta, A. Crisanti, P. Frick, G. Paladin, A. Vulpiani
chao-dyn/9405004
Quantal Consequences of Perturbations Which Destroy Structurally Unstable Orbits in Chaotic Billiards
Non-generic contributions to the quantal level-density from parallel segments in billiards are investigated. These contributions are due to the existence of marginally stable families of periodic orbits, which are structurally unstable, in the sense that small perturbations, such as a slight tilt of one of the segments...
1994-05-10
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Harel Primack (Department of Physics of Complex Systems, The Weizmann Institute of Science, 76100 Rehovot, ISRAEL), and Uzy Smilansky (Department of Physics of Complex Systems, The Weizmann Institute of Science, 76100 Rehovot, ISRAEL)
chao-dyn/9405003
Numerical Study of Granular Turbulence and the appearance of $k^{-5/3}$ energy spectrum without flow
The vibrated bed of powder, a vessel that mono disperse glass beads fill and a loud speaker shakes, is investigated numerically with the distinct element method, a kind of molecular dynamics. When the bed is heavily shaken, the displacement vectors of powder have the power spectrum with the dependence upon the wave num...
1994-05-07
2015-06-24
[ "chao-dyn", "cond-mat", "nlin.CD" ]
Y-h. Taguchi (Department of Physics, Tokyo Institute of Technology,Oh-okayama, Meguro-ku, Tokyo 152 Japan)
chao-dyn/9405002
Bottleneck effects in turbulence: Scaling phenomena in r- versus p-space
We (analytically) calculate the energy spectrum corresponding to various experimental and numerical turbulence data analyzed by Benzi et al.. We find two bottleneck phenomena: While the local scaling exponent $\zeta_r(r)$ of the structure function decreases monotonically, the local scaling exponent $\zeta_p(p)$ of the ...
1994-05-04
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Detlef Lohse (1) and Axel Mueller-Groeling (2) ((1)The James Franck Institute, The University of Chicago, Chicago, IL, USA (2)Department of Physics, University of Toronto, Toronto, Ontario, Canada)
chao-dyn/9405001
Spectral Duality for Planar Billiards
For a bounded open domain $\Omega$ with connected complement in ${\bf R}^2$ and piecewise smooth boundary, we consider the Dirichlet Laplacian $-\Delta_\Omega$ on $\Omega$ and the S-matrix on the complement $\Omega^c$. We show that the on-shell S-matrices ${\bf S}_k$ have eigenvalues converging to 1 as $k\uparrow k_0$ ...
1994-05-02
2009-10-22
[ "chao-dyn", "nlin.CD" ]
J.-P. Eckmann, C.-A. Pillet (D\'ept. de Physique Th\'eorique, Universit\'e de Gen\`eve, Gen\`eve, Switzerland )
chao-dyn/9404003
The Limits of Mathematics (in C)
This is a shortened version of "The Limits of Mathematics--Course Outline & Software" (IBM Research Report RC 19324, December 1993) in which all Mathematica code has either been deleted or, if absolutely necessary, replaced by C code. The intention is to make this material available to a wider audience.
1994-04-27
2008-02-03
[ "chao-dyn", "nlin.CD" ]
G.J. Chaitin (IBM Research Division)
chao-dyn/9404002
Local Controls for Large Assemblies of Nonlinear Elements
We introduce a set of local procedures that are capable of controlling distributed systems that exhibit complex dynamical behavior. These local controllers need only perturb local parameters and use local information about the state of the system. Besides eliminating the wiring and overhead needed for implementing a ce...
1994-04-22
2008-02-03
[ "chao-dyn", "nlin.CD" ]
Michael Youssefmir and Bernardo Huberman (Dynamics of Computation Group, Xerox Palo Alto Research Center, 3333 Coyote Hill Rd., Palo Alto, CA 94304)
chao-dyn/9404001
Semiquantal dynamics of fluctuations: Ostensible quantum chaos
The time-dependent variational principle using generalized Gaussian trial functions yields a finite dimensional approximation to the full quantum dynamics and is used in many disciplines. It is shown how these 'semi-quantum' dynamics may be derived via the Ehrenfest theorem and recast as an extended classical gradient ...
1994-04-15
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Arjendu K. Pattanayak and William C. Schieve (Prigogine Center, University of Texas at Austin, Austin, TX)
chao-dyn/9403005
Hypersensitivity to perturbation in the quantum kicked top
For the quantum kicked top we study numerically the distribution of Hilbert-space vectors evolving in the presence of a small random perturbation. For an initial coherent state centered in a chaotic region of the classical dynamics, the evolved perturbed vectors are distributed essentially like random vectors in Hilber...
1994-03-29
2009-10-22
[ "chao-dyn", "hep-th", "nlin.CD" ]
Ruediger Schack (University of New Mexico), Giacomo M. D'Ariano (Universita degli Studi di Pavia), and Carlton M. Caves (University of New Mexico)
chao-dyn/9403004
Ergodicity, ensembles, irreversibility in Boltzmann and beyond
The implications of the original misunderstanding of the etymology of the word "ergodic" are discussed, and the contents of a not too well known paper by Boltzmann are critically examined. The connection with the modern theory of Ruelle is attempted
1994-03-28
2008-02-26
[ "chao-dyn", "nlin.CD" ]
Giovannni Gallavotti (Dipartimento di Fisica, Universita' di Roma, Roma)
chao-dyn/9403002
Understanding Long-range Correlations in DNA Sequences
In this paper, we review the literature on statistical long-range correlation in DNA sequences. We examine the current evidence for these correlations, and conclude that a mixture of many length scales (including some relatively long ones) in DNA sequences is responsible for the observed 1/f-like spectral component. We...
1994-03-22
2009-10-22
[ "chao-dyn", "nlin.CD", "q-bio.GN" ]
Wentian Li, Thomas G. Marr (Cold Spring Harbor Lab), Kunihiko Kaneko (University of Tokyo)
chao-dyn/9403001
Prediction Errors and Local Lyapunov Exponents
It is frequently asserted that in a chaotic system two initially close points will separate at an exponential rate governed by the largest global Lyapunov exponent. Local Lyapunov exponents, however, are more directly relevant to predictability. The difference between the local and global Lyapunov exponents, the large ...
1994-03-09
2008-02-03
[ "chao-dyn", "nlin.CD" ]
Matthew B. Kennel(1), Henry D. I. Abarbanel(1,2), and J. J. "Sid" Sidorowich(1) ((1) Institute for Nonlinear Science, UC San Diego (2) Marine Physical Laboratory, Scripps Institution of Oceanography)
chao-dyn/9402007
Approximate zeta functions for the Sinai billiard and related systems
We discuss zeta functions, and traces of the associated weighted evolution operators for intermittent Hamiltonian systems in general and for the Sinai billiard in particular. The intermittency of this billiard is utilized so that the zeta functions may be approximately expressed in terms of the probability distribution...
1994-02-24
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Per Dahlqvist (KTH, Stockholm)
chao-dyn/9402005
Transition to Chaos in a Shell Model of Turbulence
We study a shell model for the energy cascade in three dimensional turbulence at varying the coefficients of the non-linear terms in such a way that the fundamental symmetries of Navier-Stokes are conserved. When a control parameter $\epsilon$ related to the strength of backward energy transfer is enough small, the dyn...
1994-02-22
2015-06-24
[ "chao-dyn", "nlin.CD" ]
L. Biferale, A. Lambert, R. Lima and G. Paladin
chao-dyn/9402006
The Bogdanov Map: Bifurcations, Mode Locking, and Chaos in a Dissipative System
We investigate the bifurcations and basins of attraction in the Bogdanov map, a planar quadratic map which is conjugate to the H\'enon area-preserving map in its conservative limit. It undergoes a Hopf bifurcation as dissipation is added, and exhibits the panoply of mode locking, Arnold tongues, and chaos as an invaria...
1994-02-22
2015-10-13
[ "chao-dyn", "math.DS", "nlin.CD" ]
David K. Arrowsmith, Julyan H. E. Cartwright, Alexis N. Lansbury, and Colin M. Place
chao-dyn/9402004
A Method for Detecting Possible Non-determinism in a Time Series
A method for detecting possible non-deterministic dynamics underlying a time series is introduced. Non-deterministic dynamics may arise due to the failure of the Lipschitz condition in the equations of motion. At a singular point, the phase space trajectory of the system may jump from one solution to another. This disc...
1994-02-19
2008-02-03
[ "chao-dyn", "nlin.CD" ]
D. D. Dixon (Institute of Geophysics and Planetary Physics, University of California, Riverside), M. Zak (Jet Propulsion Laboratory) and J. P. Zbilut (Rush Medical College, Chicago)
chao-dyn/9402003
Quasi-equilibria in one-dimensional self-gravitating many body systems
The microscopic dynamics of one-dimensional self-gravitating many-body systems is studied. We examine two courses of the evolution which has the isothermal and stationary water-bag distribution as initial conditions. We investigate the evolution of the systems toward thermal equilibrium. It is found that when the numbe...
1994-02-15
2009-10-22
[ "chao-dyn", "astro-ph", "nlin.CD" ]
Toshio Tsuchiya (Department of Physics, Kyoto University, Kyoto, Japan), Tetsuro Konishi (Department of Physics, Nagoya University, Nagoya, Japan), Naoteru Gouda (Department of Earth and Space Science, Osaka University, Toyonaka, Japan)
chao-dyn/9402002
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 $\dzm$...
1994-02-09
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Siegfried Grossmann (Fachbereich Physik, Philipps-Universit\"at, Renthof 6, D-35032 Marburg, Germany), Detlef Lohse (The James Franck Institute, The University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637, USA), Victor L'vov (Dept. of Physics of Complex Systems, the Weizmann Institute of Science, Reho...
chao-dyn/9402001
Quantum Chaos
A short historical overview is given on the development of our knowledge of complex dynamical systems with special emphasis on ergodicity and chaos, and on the semiclassical quantization of integrable and chaotic systems. The general trace formula is discussed as a sound mathematical basis for the semiclassical quantiz...
1994-02-07
2008-02-03
[ "chao-dyn", "nlin.CD" ]
Frank Steiner
chao-dyn/9401007
Periodic Orbit Theory of Diffraction
An extension of the Gutzwiller trace formula is given that includes diffraction effects due to hard wall scatterers or other singularities. The new trace formula involves periodic orbits which have arcs on the surface of singularity and which correspond to creping waves. A new family of resonances in the two disk scatt...
1994-01-21
2016-08-14
[ "chao-dyn", "cond-mat", "nlin.CD" ]
G\'abor Vattay (Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen O, Denmark), Andreas Wirzba (Institut f\"ur Kernphysik, Technische Hochschule Darmstadt, Schlo{\ss}gartenstr. 9, D-64289 Darmstadt, Germany), and Per E. Rosenqvist (Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen O, Denmark)
chao-dyn/9401006
Stability Estimate in Scattering Theory and Its Application to Mesoscopic Systems and Quantum Chaos
We consider scattering of a free quantum particle on a singular potential with rather arbitrary shape of the support of the potential. In the classical limit $\hbar=0$ this problem reduces to the well known problem of chaotic scattering. The universal estimates for the stability of the scattering amplitudes are derived...
1994-01-19
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Alexander G. Ramm (Dept of Mathematics, Kansas State University) and Gennady P. Berman (Center for Nonlinear Studies, LANL; and Kirensky Institute of Physics, Krasnoyarsk State University, Russia)
chao-dyn/9401005
Crossover from high to low Reynolds number turbulence
The Taylor-Reynolds and Reynolds number ($Re_\lambda$ and $Re$) dependence of the dimensionless energy dissipation rate $\ceps =\eps L / \u1rms^3$ is derived for statistically stationary isotropic turbulence, employing the results of a variable range mean field theory. Here, $\eps$ is the energy dissipation rate, $L$ i...
1994-01-18
2009-10-22
[ "chao-dyn", "nlin.CD" ]
Detlef Lohse (The James Franck Institute, 5640 South Ellis Avenue, Chicago, IL 60637)
chao-dyn/9401003
Chaotic time series Part II: System identification and prediction
This paper is the second in a series of two, and describes the current state of the art in modelling and prediction of chaotic time series. Sampled data from deterministic non-linear systems may look stochastic when analysed with linear methods. However, the deterministic structure may be uncovered and non-linear model...
1994-01-14
2008-02-03
[ "chao-dyn", "comp-gas", "nlin.CD", "nlin.CG" ]
Bjoern Lillekjendlie (SINTEF-SI, Pb. 124, Blindern, N-0314 Oslo, Norway), Dimitris Kugiumtzis and Nils Christophersen (Department of Informatics, University of Oslo, Pb. 1080 Blindern, N-0316 Oslo, Norway)
chao-dyn/9401004
Chaotic time series Part I: Estimation of invariant properies in state space
Certain deterministic non-linear systems may show chaotic behaviour. Time series derived from such systems seem stochastic when analyzed with linear techniques. However, uncovering the deterministic structure is important because it allows for construction of more realistic and better models and thus improved predictiv...
1994-01-14
2008-02-03
[ "chao-dyn", "comp-gas", "nlin.CD", "nlin.CG" ]
Dimitris Kugiumtzis (Department of Informatics, University of Oslo, Pb. 1080 Blindern, N-0316 Oslo, Norway), Bjoern Lillekjendlie (SINTEF-SI, Pb. 124, Blindern, N-0314 Oslo, Norway), Nils Christophersen (Department of Informatics, University of Oslo, Pb. 1080 Blindern, N-0316 Oslo, Norway)
chao-dyn/9401002
The Dynamics of Vortex Structures and States of Current in Plasma-Like Fluids and the Electrical Explosion of Conductors: 3. Comparison with Experiment
The present paper is a concluding part of the series [N.B. Volkov and A.M. Iskoldsky: 1; 2; [1], [2]]. Here on the basis of the results of the above papers the experiments on the electric explosion in conductors have been discussed and the mechanism of "hot" plasma spots formation which was repeatedly observed in the e...
1994-01-06
2016-08-31
[ "chao-dyn", "nlin.CD" ]
N B Volkov and A M Iskoldsky (Russian Academy of Science, Ural Division, Institute of Electrophysics, Ekaterinburg, Russia)
chao-dyn/9401001
The Dynamics of Vortex Structures and States of Current in Plasma-Like Fluids and the Electrical Explosion of Conductors: 2. Computer experiment
In the present paper which is a sequel to [N.B. Volkov and A.M. Iskoldsky The dynamics of vortex structures and states of current: 1;[1]], the dynamics of non-equilibrium phase transitions and states of current in electrophysical systems providing an external circuit and a nonlinear element the model of which has been ...
1994-01-05
2008-02-03
[ "chao-dyn", "nlin.CD" ]
N.B. Volkov and A.M. Iskoldsky (Russian Academy of Science, Ural Division, Institute of Electrophysics, Ekaterinburg, Russia)
chem-ph/9412003
Specific heat in the thermodynamics of clusters
The thermodynamic properties such as the specific heat are uniquely determined by the second moments of the energy distribution for a given ensemble averaging. However for small particle numbers the results depend on the ensemble chosen. We calculated the higher moments of the distributions of some observables for both...
1994-12-29
2008-02-03
[ "chem-ph", "physics.chem-ph" ]
Peter Borrmann, Dorian Gloski, Eberhard R. Hilf (Dept. of Physics, University of Oldenburg)
chem-ph/9412002
Microwave detected, microwave-optical double resonance of NH3, NH2D, NHD2, and ND3. I. Sturcture and force field of the A state
Microwave detected, microwave-optical double resonance was used to record the A state electronic spectrum of NH3, NH2D, and NHD2 with both vibrational and rotational resolution. To investigate ND3 with the same resolution as we had with our hydrogen containing isotopomers, a strip-line cell was constructed allowing the...
1994-12-07
2008-02-03
[ "chem-ph", "physics.chem-ph" ]
Steven A. Henck, Martin A. Mason, Wen - Bin Yan, Kevin K. Lehmann, and Stephen L. Coy
chem-ph/9412001
Microwave detected, microwave-optical double resonance of NH3, NH2D, NHD2, and ND3. II. Predissociation dynamics of the A state
Using microwave detected, microwave-optical double resonance, we have measured the homogeneous linewidths of individual rovibrational transitions in the \~A state of NH3, NH2D, NHD2, and ND3. We have used this excited state spectroscopic data to characterize the height of the dissociation barrier and the mechanisms by ...
1994-12-06
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Steven A. Henck, Martin A. Mason, Wen - Bin Yan, Kevin K. Lehmann, and Stephen L. Coy
chem-ph/9411012
Reversible Work Transiton State Theory: Application to Dissociative Adsorption of Hydrogen
A practical method for finding free energy barriers for transitions in high-dimensional classical and quantum systems is presented and used to calculate the dissociative sticking probability of H2 on a metal surface within transition state theory (TST). The reversible work involved in shifting the system confined to a ...
1994-11-16
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Gregory Mills and Hannes Jonsson
chem-ph/9411010
Radiative association and inverse predissociation of oxygen atoms
The formation of $\mbox{O}_2$ by radiative association and by inverse predissociation of ground state oxygen atoms is studied using quantum-mechanical methods. Cross sections, emission spectra, and rate coefficients are presented and compared with prior experimental and theoretical results. At temperatures below 1000~K...
1994-11-15
2008-02-03
[ "chem-ph", "physics.chem-ph" ]
J. F. Babb and A. Dalgarno
chem-ph/9411011
Molecular Dynamics Simulations of a Pressure-induced Glass Transition
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure, undergoing a broadened transition into a structurally arrested, amorphous state. This tr...
1994-11-15
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Shelly L. Shumway, Andrew S. Clarke and Hannes J\'onsson (University of Washington)
chem-ph/9411009
A Hybrid Decomposition Parallel Implementation of the Car-Parrinello Method
We have developed a flexible hybrid decomposition parallel implementation of the first-principles molecular dynamics algorithm of Car and Parrinello. The code allows the problem to be decomposed either spatially, over the electronic orbitals, or any combination of the two. Performance statistics for 32, 64, 128 and 512...
1994-11-14
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
James K. Wiggs (Department of Chemistry, University of Washington) and Hannes Jonsson (Department of Chemistry, University of Washington)
chem-ph/9411008
Funnels, Pathways and the Energy Landscape of Protein Folding: A Synthesis
The understanding, and even the description of protein folding is impeded by the complexity of the process. Much of this complexity can be described and understood by taking a statistical approach to the energetics of protein conformation, that is, to the energy landscape. The statistical energy landscape approach expl...
1994-11-11
2008-02-03
[ "chem-ph", "cond-mat", "physics.chem-ph" ]
J. D. Bryngelson, J. N. Onuchic, N. D. Socci and P. G. Wolynes
chem-ph/9411007
Comment on "Monte Carlo Simulation of a First-Order Transition"
We comment on a recent article by Hao and Scheraga.
1994-11-11
2008-02-03
[ "chem-ph", "physics.chem-ph" ]
Bernd A. Berg, Ulrich H.E. Hansmann and Yuko Okamoto
chem-ph/9411006
Low-temperature dynamical simulation of spin-boson systems
The dynamics of spin-boson systems at very low temperatures has been studied using a real-time path-integral simulation technique which combines a stochastic Monte Carlo sampling over the quantum fluctuations with an exact treatment of the quasiclassical degrees of freedoms. To a large degree, this special technique ci...
1994-11-09
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Reinhold Egger and C.H. Mak (Department of Chemistry, University of Southern California, Los Angeles, USA)
chem-ph/9411005
Comparative Study of Multicanonical and Simulated Annealing Algorithms in the Protein Folding Problem
We compare a few variants of the recently proposed multicanonical method with the well known simulated annealing for the effectiveness in search of the energy global minimum of a biomolecular system. For this we study in detail Met-enkephalin, one of the simplest peptides. We show that the new method not only outperfor...
1994-11-08
2009-10-22
[ "chem-ph", "cond-mat", "hep-lat", "physics.chem-ph" ]
Ulrich H.E. Hansmann and Yuko Okamoto
chem-ph/9411002
Packing Transitions in Nanosized Li Clusters
Packing transitions in the lowest energy structures of Li clusters as a function of size have been identified via simulated annealing. For N>21, the large $p$ character of Li leads to unexpected ionic structures. At N~25, a packing pattern based on interpenetrating 13-atom icosahedra and similar to that of Na and K app...
1994-11-04
2009-10-22
[ "chem-ph", "mtrl-th", "physics.chem-ph" ]
Ming Wen Sung (University of California, San Diego), Ryoichi Kawai (University of Alabama at Birmingham), John H. Weare (University of California, San Diego)
chem-ph/9411004
Theoretical Study of Time-Resolved Fluorescence Anisotropy from Coupled Chromophore Pairs
Calculations of time-resolved fluorescence anisotropy from a pair of chromophores coupled by an excitation transfer interaction are presented. For the purpose of investigating the effects of nuclear motion on the energy transfer and anisotropy, an illustrative model is developed that provides each chromophore with a si...
1994-11-04
2008-02-03
[ "chem-ph", "physics.chem-ph" ]
Alexander Matro and Jeffrey A. Cina (Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, IL)
chem-ph/9411003
Dimensional Perturbation Theory on the Connection Machine
A recently developed linear algebraic method for the computation of perturbation expansion coefficients to large order is applied to the problem of a hydrogenic atom in a magnetic field. We take as the zeroth order approximation the $D \rightarrow \infty$ limit, where $D$ is the number of spatial dimensions. In this ps...
1994-11-04
2009-10-22
[ "chem-ph", "cond-mat", "hep-th", "physics.chem-ph" ]
Timothy C. Germann (Department of Chemistry, Harvard University), Dudley R. Herschbach (Department of Chemistry, Harvard University), and Bruce M. Boghosian (Center for Computational Science, Boston University)
chem-ph/9411001
Many-Body effects and resonances in universal quantum sticking of cold atoms to surfaces
The role of shape resonances and many-body effects on universal quantum sticking of ultra cold atoms onto solid surfaces is examined analytically and computationally using an exactly solvable representation of the Dyson equation. We derive the self-energy renormalization of the the transition amplitude between an ultra...
1994-11-03
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Eric R. Bittner and John C. Light
chem-ph/9410001
On the Mechanism of the Primary Charge Separation in Bacterial Photosynthesis
We present a detailed analysis of the mechanism of the primary charge separation process in bacterial photosynthesis using real-time path integrals. Direct computer simulations as well as an approximate analytical theory have been employed to map out the dynamics of the charge separation process in many regions of the ...
1994-10-16
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
C.H. Mak (Department of Chemistry, University of Southern California, Los Angeles, California, USA) and Reinhold Egger (Fakultat fur Physik, Universitat Freiburg, Hermann-Herder-Str. 3, D-79104 Freiburg, Germany)
chem-ph/9410002
Transferable Tight-Binding Potential for Hydrocarbons
A transferable tight-binding potential has been constructed for heteroatomic systems containing carbon and hydrogen. The electronic degree of freedom is treated explicitly in this potential using a small set of transferable parameters which has been fitted to small hydrocarbons and radicals. Transferability to other hi...
1994-10-16
2008-02-03
[ "chem-ph", "physics.chem-ph" ]
Yang Wang and C.H. Mak (Department of Chemistry, University of Southern California, Los Angeles, CA)
chem-ph/9409002
Locating transition states using double-ended classical trajectories
In this paper we present a method for locating transition states and higher-order saddles on potential energy surfaces using double-ended classical trajectories. We then apply this method to 7- and 8-atom Lennard-Jones clusters, finding one previously unreported transition state for the 7-atom cluster and two for the 8...
1994-09-20
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
A. Matro and D.L. Freeman (Department of Chemistry, The University of Rhode Island, Kingston, RI) and J.D. Doll (Department of Chemistry, Brown University, Providence, RI)
chem-ph/9409001
C20: Fulleren, Bowl or Ring? New Results from Coupled-Cluster Calculations
Contrary to recent experimental evidence suggesting that the monocyclic ring is the most stable 20-atom carbon species, highly accurate calculations convincingly predict that the smallest fullerene, the dodecahedron C$_{20}$, has the lowest energy. A related corannulene-like bowl is nearly degenerate in energy to the f...
1994-09-18
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Peter R. Taylor (San Diego Supercomputer Center) Eric Bylaska and John H. Weare (Department of Chemistry, UCSD) Ryoichi Kawai (Dept. of Physics, Univ. of Alabama at Birmingham)
chem-ph/9408002
Methods for molecular dynamics with nonadiabatic transitions
We show how the dynamically nonlocal formulation of classical nuclear motion in the presence of quantal electronic transitions presented many years ago by Pechukas can be localized in time using time dependent perturbation theory to give an impulsive force which acts when trajectories hop between electronic surfaces. T...
1994-08-12
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
D.F. Coker and L. Xiao (Department of Chemistry, Boston University, 590 Commonwealth Avenue, Boston, MA)
chem-ph/9408001
Theoretical calculation of the water ion product K_W
A dielectric solvation model is applied to the prediction of the equilibrium ionization of liquid water over a wide range of density and temperature with the objective of calibrating that model for the study of ionization in water of organic acids, {\it e.g.\/}, proteins and nucleic acids. The model includes an approxi...
1994-08-03
2009-09-25
[ "chem-ph", "physics.chem-ph" ]
Gregory J. Tawa and Lawrence R. Pratt (Theoretical Division, Los Alamos National Laboratory, Los Alamos NM)
chem-ph/9407002
Optical response of C60 and C70 fullerenes: Exciton and lattice fluctuation effects
Molecular exciton effects in the neutral and maximally doped C60 (C70) are considered using a tight binding model with long-range Coulomb interactions and bond disorder. By comparing calculated and observed optical spectra, we conclude that relevant Coulomb parameters for the doped cases are about half of those of the ...
1994-07-14
2008-02-03
[ "chem-ph", "cond-mat", "hep-lat", "physics.chem-ph" ]
Kikuo Harigaya and Shuji Abe (Fundamental Physics Section, Electrotechnical Laboratory, Umezono, Tsukuba, Ibaraki, Japan)
chem-ph/9407001
The Construction of Double-Ended Classical Trajectories
In the present paper we describe relaxation methods for constructing double-ended classical trajectories. We illustrate our approach with an application to a model anharmonic system, the Henon-Heiles problem. Trajectories for this model exhibit a number of interesting energy-time relationships that appear to be of gene...
1994-07-08
2009-10-22
[ "chem-ph", "cond-mat", "physics.chem-ph" ]
A. E. Cho and J. D. Doll (Department of Chemistry, Brown University, Providence, RI) and D. L. Freeman (Department of Chemistry, University of Rhode Island, Kingston, RI)
chem-ph/9406003
Many-body trial wave functions for atomic systems and ground states of small noble gas clusters
Clusters of sizes ranging from two to five are studied by variational quantum Monte Carlo techniques. The clusters consist of Ar, Ne and hypothetical lighter (``$1 \over 2$-Ne") atoms. A general form of trial function is developed for which the variational bias is considerably smaller than the statistical error of curr...
1994-06-24
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Andrei Mushinski and M.P. Nightingale (Department of Physics, University of Rhode Island, Kingston, RI 02881)
chem-ph/9406002
Dynamical Fluctuating Charge Force Fields: Application to Liquid Water
A new molecular dynamics model in which the point charges on atomic sites are allowed to fluctuate in response to the environment is developed and applied to water. The idea for treating charges as variables is based on the concept of electronegativity equalization according to which: (a) The electronegativity of an at...
1994-06-10
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Steven W. Rick, Steven J. Stuart, and B.J. Berne (Department of Chemistry and Center for Biomolecular Simulation Columbia University, NY)
chem-ph/9406001
Magic Numbers for Classical Lennard-Jones Cluster Heat Capacities
Heat capacity curves as functions of temperature for classical atomic clusters bound by pairwise Lennard-Jones potentials were calculated for aggregate sizes from 4 to 24 using Monte Carlo methods. J-walking (or jump-walking) was used to overcome convergence difficulties due to quasi-ergodicity in the solid-liquid tran...
1994-06-07
2009-10-22
[ "chem-ph", "physics.chem-ph" ]
Don D. Frantz (Department of Chemistry, University of Lethbridge, Lethbridge, Canada)
chem-ph/9405002
Decisions, Decisions: Noise and its Effects on Integral Monte Carlo Algorithms
In the present paper we examine the effects of noise on Monte Carlo algorithms, a problem raised previously by Kennedy and Kuti (Phys. Rev. Lett. {\bf 54}, 2473 (1985)). We show that the effects of introducing unbiased noise into the acceptance/rejection phase of the conventional Metropolis approach are surprisingly mo...
1994-05-26
2009-10-22
[ "chem-ph", "cond-mat", "physics.chem-ph" ]
J. D. Doll (Department of Chemistry, Brown University, Providence, RI) and D. L. Freeman (Department of Chemistry, University of Rhode Island, Kingston, RI)