Computing Lyapunov spectra with continuous Gram-Schmidt orthonormalization

We present a straightforward and reliable continuous method for computing the full or a partial Lyapunov spectrum associated with a dynamical system specified by a set of differential equations. We do this by introducing a stability parameter beta>0 and augmenting the dynamical system with an orthonormal k-dimensional frame and a Lyapunov vector such that the frame is continuously Gram-Schmidt orthonormalized and at most linear growth of the dynamical variables is involved. We prove that the method is strongly stable when beta > -lambda_k where lambda_k is the k'th Lyapunov exponent in descending order and we show through examples how the method is implemented. It extends many previous results.Comment: 14 pages, 10 PS figures, ioplppt.sty, iopl12.sty, epsfig.sty 44 k

Non-integrability of the mixmaster universe

We comment on an analysis by Contopoulos et al. which demonstrates that the governing six-dimensional Einstein equations for the mixmaster space-time metric pass the ARS or reduced Painlev\'{e} test. We note that this is the case irrespective of the value, $I$, of the generating Hamiltonian which is a constant of motion. For $I < 0$ we find numerous closed orbits with two unstable eigenvalues strongly indicating that there cannot exist two additional first integrals apart from the Hamiltonian and thus that the system, at least for this case, is very likely not integrable. In addition, we present numerical evidence that the average Lyapunov exponent nevertheless vanishes. The model is thus a very interesting example of a Hamiltonian dynamical system, which is likely non-integrable yet passes the reduced Painlev\'{e} test.Comment: 11 pages LaTeX in J.Phys.A style (ioplppt.sty) + 6 PostScript figures compressed and uuencoded with uufiles. Revised version to appear in J Phys.

The resonance spectrum of the cusp map in the space of analytic functions

We prove that the Frobenius--Perron operator $U$ of the cusp map $F:[-1,1]\to[-1,1]$, $F(x)=1-2\sqrt{|x|}$ (which is an approximation of the Poincar\'e section of the Lorenz attractor) has no analytic eigenfunctions corresponding to eigenvalues different from 0 and 1. We also prove that for any $q\in(0,1)$ the spectrum of $U$ in the Hardy space in the disk \{z\in\C:|z-q|<1+q\} is the union of the segment $[0,1]$ and some finite or countably infinite set of isolated eigenvalues of finite multiplicity.Comment: Submitted to JMP; The description of the spectrum in some Hardy spaces is adde

Microscopic expressions for the thermodynamic temperature

We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and the Molecular Dynamics (MD) ensemble, and test them with a short-ranged potential MD simulation.Comment: 21 pages, 2 figures, Revtex. Submitted to Phys. Rev.

Microcanonical temperature for a classical field: application to Bose-Einstein condensation

We show that the projected Gross-Pitaevskii equation (PGPE) can be mapped exactly onto Hamilton's equations of motion for classical position and momentum variables. Making use of this mapping, we adapt techniques developed in statistical mechanics to calculate the temperature and chemical potential of a classical Bose field in the microcanonical ensemble. We apply the method to simulations of the PGPE, which can be used to represent the highly occupied modes of Bose condensed gases at finite temperature. The method is rigorous, valid beyond the realms of perturbation theory, and agrees with an earlier method of temperature measurement for the same system. Using this method we show that the critical temperature for condensation in a homogeneous Bose gas on a lattice with a UV cutoff increases with the interaction strength. We discuss how to determine the temperature shift for the Bose gas in the continuum limit using this type of calculation, and obtain a result in agreement with more sophisticated Monte Carlo simulations. We also consider the behaviour of the specific heat.Comment: v1: 9 pages, 5 figures, revtex 4. v2: additional text in response to referee's comments, now 11 pages, to appear in Phys. Rev.

Efficient estimation of energy transfer efficiency in light-harvesting complexes

The fundamental physical mechanisms of energy transfer in photosynthetic complexes is not yet fully understood. In particular, the degree of efficiency or sensitivity of these systems for energy transfer is not known given their non-perturbative and non-Markovian interactions with proteins backbone and surrounding photonic and phononic environments. One major problem in studying light-harvesting complexes has been the lack of an efficient method for simulation of their dynamics in biological environments. To this end, here we revisit the second-order time-convolution (TC2) master equation and examine its reliability beyond extreme Markovian and perturbative limits. In particular, we present a derivation of TC2 without making the usual weak system-bath coupling assumption. Using this equation, we explore the long time behaviour of exciton dynamics of Fenna-Matthews-Olson (FMO) protein complex. Moreover, we introduce a constructive error analysis to estimate the accuracy of TC2 equation in calculating energy transfer efficiency, exhibiting reliable performance for environments with weak and intermediate memory and strength. Furthermore, we numerically show that energy transfer efficiency is optimal and robust for the FMO protein complex of green sulphur bacteria with respect to variations in reorganization energy and bath correlation time-scales.Comment: 16 pages, 9 figures, modified version, updated appendices and reference lis

Continued-fraction expansion of eigenvalues of generalized evolution operators in terms of periodic orbits

A new expansion scheme to evaluate the eigenvalues of the generalized evolution operator (Frobenius-Perron operator) $H_{q}$ relevant to the fluctuation spectrum and poles of the order-$q$ power spectrum is proposed. The ``partition function'' is computed in terms of unstable periodic orbits and then used in a finite pole approximation of the continued fraction expansion for the evolution operator. A solvable example is presented and the approximate and exact results are compared; good agreement is found.Comment: CYCLER Paper 93mar00

Hopf's last hope: spatiotemporal chaos in terms of unstable recurrent patterns

Spatiotemporally chaotic dynamics of a Kuramoto-Sivashinsky system is described by means of an infinite hierarchy of its unstable spatiotemporally periodic solutions. An intrinsic parametrization of the corresponding invariant set serves as accurate guide to the high-dimensional dynamics, and the periodic orbit theory yields several global averages characterizing the chaotic dynamics.Comment: Latex, ioplppt.sty and iopl10.sty, 18 pages, 11 PS-figures, compressed and encoded with uufiles, 170 k

Resonances of the cusp family

We study a family of chaotic maps with limit cases the tent map and the cusp map (the cusp family). We discuss the spectral properties of the corresponding Frobenius--Perron operator in different function spaces including spaces of analytic functions. A numerical study of the eigenvalues and eigenfunctions is performed.Comment: 14 pages, 3 figures. Submitted to J.Phys.