Thermal energies of classical and quantum damped oscillators coupled to reservoirs

We consider the global thermal state of classical and quantum harmonic oscillators that interact with a reservoir. Ohmic damping of the oscillator can be exactly treated with a 1D scalar field reservoir, whereas general non-Ohmic damping is conveniently treated with a continuum reservoir of harmonic oscillators. Using the diagonalized Hamiltonian of the total system, we calculate a number of thermodynamic quantities for the damped oscillator: the mean force internal energy, mean force free energy, and another internal energy based on the free-oscillator Hamiltonian. The classical mean force energy is equal to that of a free oscillator, for both Ohmic and non-Ohmic damping and no matter how strong the coupling to the reservoir. In contrast, the quantum mean force energy depends on the details of the damping and diverges for strictly Ohmic damping. These results give additional insight into the steady-state thermodynamics of open systems with arbitrarily strong coupling to a reservoir, complementing results for energies derived within dynamical approaches (e.g. master equations) in the weak-coupling regime.Comment: 13 page

Likelihood Analysis of Power Spectra and Generalized Moment Problems

We develop an approach to spectral estimation that has been advocated by Ferrante, Masiero and Pavon and, in the context of the scalar-valued covariance extension problem, by Enqvist and Karlsson. The aim is to determine the power spectrum that is consistent with given moments and minimizes the relative entropy between the probability law of the underlying Gaussian stochastic process to that of a prior. The approach is analogous to the framework of earlier work by Byrnes, Georgiou and Lindquist and can also be viewed as a generalization of the classical work by Burg and Jaynes on the maximum entropy method. In the present paper we present a new fast algorithm in the general case (i.e., for general Gaussian priors) and show that for priors with a specific structure the solution can be given in closed form.Comment: 17 pages, 4 figure

On time-reversibility of linear stochastic models

Reversal of the time direction in stochastic systems driven by white noise has been central throughout the development of stochastic realization theory, filtering and smoothing. Similar ideas were developed in connection with certain problems in the theory of moments, where a duality induced by time reversal was introduced to parametrize solutions. In this latter work it was shown that stochastic systems driven by arbitrary second-order stationary processes can be similarly time-reversed. By combining these two sets of ideas we present herein a generalization of time-reversal in stochastic realization theory.Comment: 10 pages, 4 figure

The Separation Principle in Stochastic Control, Redux

Over the last 50 years a steady stream of accounts have been written on the separation principle of stochastic control. Even in the context of the linear-quadratic regulator in continuous time with Gaussian white noise, subtle difficulties arise, unexpected by many, that are often overlooked. In this paper we propose a new framework for establishing the separation principle. This approach takes the viewpoint that stochastic systems are well-defined maps between sample paths rather than stochastic processes per se and allows us to extend the separation principle to systems driven by martingales with possible jumps. While the approach is more in line with "real-life" engineering thinking where signals travel around the feedback loop, it is unconventional from a probabilistic point of view in that control laws for which the feedback equations are satisfied almost surely, and not deterministically for every sample path, are excluded.Comment: 23 pages, 6 figures, 2nd revision: added references, correction

Anyons on Higher Genus Surfaces - a Constructive Approach

We reconsider the problem of anyons on higher genus surfaces by embedding them in three dimensional space. From a concrete realization based on three dimensional flux tubes bound to charges moving on the surface, we explicitly derive all the representations of the spinning braid group. The component structure of the wave functions arises from winding the flux tubes around the handles. We also argue that the anyons in our construction must fulfil the generalized spin-statistics relation.Comment: 8 pages, LaTex, 2 figures available on request ([email protected]), USITP-93-1

Teaching computers to fold proteins

A new general algorithm for optimization of potential functions for protein folding is introduced. It is based upon gradient optimization of the thermodynamic stability of native folds of a training set of proteins with known structure. The iterative update rule contains two thermodynamic averages which are estimated by (generalized ensemble) Monte Carlo. We test the learning algorithm on a Lennard-Jones (LJ) force field with a torsional angle degrees-of-freedom and a single-atom side-chain. In a test with 24 peptides of known structure, none folded correctly with the initial potential functions, but two-thirds came within 3{\AA} to their native fold after optimizing the potential functions.Comment: 4 pages, 3 figure

An Enhanced Perturbational Study on Spectral Properties of the Anderson Model

The infinite-$U$ single impurity Anderson model for rare earth alloys is examined with a new set of self-consistent coupled integral equations, which can be embedded in the large $N$ expansion scheme ($N$ is the local spin degeneracy). The finite temperature impurity density of states (DOS) and the spin-fluctuation spectra are calculated exactly up to the order $O(1/N^2)$. The presented conserving approximation goes well beyond the $1/N$-approximation ({\em NCA}) and maintains local Fermi-liquid properties down to very low temperatures. The position of the low lying Abrikosov-Suhl resonance (ASR) in the impurity DOS is in accordance with Friedel's sum rule. For $N=2$ its shift toward the chemical potential, compared to the {\em NCA}, can be traced back to the influence of the vertex corrections. The width and height of the ASR is governed by the universal low temperature energy scale $T_K$. Temperature and degeneracy $N$-dependence of the static magnetic susceptibility is found in excellent agreement with the Bethe-Ansatz results. Threshold exponents of the local propagators are discussed. Resonant level regime ($N=1$) and intermediate valence regime ($|\epsilon_f| <\Delta$) of the model are thoroughly investigated as a critical test of the quality of the approximation. Some applications to the Anderson lattice model are pointed out.Comment: 19 pages, ReVTeX, no figures. 17 Postscript figures available on the WWW at http://spy.fkp.physik.th-darmstadt.de/~frithjof

A Numerical Renormalization Group approach to Green's Functions for Quantum Impurity Models

We present a novel technique for the calculation of dynamical correlation functions of quantum impurity systems in equilibrium with Wilson's numerical renormalization group. Our formulation is based on a complete basis set of the Wilson chain. In contrast to all previous methods, it does not suffer from overcounting of excitation. By construction, it always fulfills sum rules for spectral functions. Furthermore, it accurately reproduces local thermodynamic expectation values, such as occupancy and magnetization, obtained directly from the numerical renormalization group calculations.Comment: 13 pages, 7 figur