Many-body Green's function theory for electron-phonon interactions: the Kadanoff-Baym approach to spectral properties of the Holstein dimer

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state, and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to investigate the charge neutral and non-neutral excitation spectra of a homogeneous, two-site, two-electron Holstein model. This is an extension of a previous study of the ground state properties in the Hartree (H), partially self-consistent Born (Gd) and fully self-consistent Born (GD) approximations published in Ref. [arXiv:1403.2968]. We show that choosing a homogeneous ground state solution leads to unstable dynamics for a sufficiently strong interaction, and that allowing a symmetry-broken state prevents this. The instability is caused by the bifurcation of the ground state and understood physically to be connected with the bipolaronic crossover of the exact system. This mean-field instability persists in the partially self-consistent Born approximation but is not found for the fully self-consistent Born approximation. By understanding the stability properties, we are able to study the linear response regime by calculating the density-density response function by time-propagation. This functions amounts to a solution of the Bethe-Salpeter equation with a sophisticated kernel. The results indicate that none of the approximations is able to describe the response function during or beyond the bipolaronic crossover for the parameters investigated. Overall, we provide an extensive discussion on when the approximations are valid, and how they fail to describe the studied exact properties of the chosen model system.Comment: 12 figure

Creation and pinning of vortex-antivortex pairs

Computer modeling is reported about the creation and pinning of a magnetic vortex-antivortex (V-AV) pair in a superconducting thin film, due to the magnetic field of a vertical magnetic dipole above the film, and two antidot pins inside the film. For film thickness $= 0.1\xi$, $\kappa = 2$, and no pins, we find the film carries two V-AV pairs at steady state in the imposed flux range $2.10\Phi_0 < \Phi^+ < 3.0\Phi_0$, and no pairs below. With two antidot pins suitably introduced into the film, a single V-AV pair can be stable in the film for $\Phi^+ \ge 1.3\Phi_0$. At pin separation $\ge 17\xi$, we find the V-AV pair remains pinned after the dipole field is removed, and, so can represent a 1 for a nonvolatile memory.Comment: 8 pages, 6 figure

A study of Dykstra-Parsons curves

The Dykstra-Parsons method for prediction of oil recovery by water flooding is a well known technique which has been used by the petroleum industry since 1945. The present work carries their study further, solving the same problem of calculating coverage for certain values of permeability variation having water-oil-ratio and mobility ratio as fixed parameters. The work herein, instead of using 50 layers, uses 200. Also a more precise theoretical approach to the problem is given. Because of these differences the resulting curves are slightly modified. In a second part, the authors deal with empirical simplifications with considerable success. The idea was to collapse the data and curves obtained in the first part into a single curve which covers most of the range of variables commonly seen in reservoir displacements

A General Setting for Geometric Phase of Mixed States Under an Arbitrary Nonunitary Evolution

The problem of geometric phase for an open quantum system is reinvestigated in a unifying approach. Two of existing methods to define geometric phase, one by Uhlmann's approach and the other by kinematic approach, which have been considered to be distinct, are shown to be related in this framework. The method is based upon purification of a density matrix by its uniform decomposition and a generalization of the parallel transport condition obtained from this decomposition. It is shown that the generalized parallel transport condition can be satisfied when Uhlmann's condition holds. However, it does not mean that all solutions of the generalized parallel transport condition are compatible with those of Uhlmann's one. It is also shown how to recover the earlier known definitions of geometric phase as well as how to generalize them when degeneracy exists and varies in time.Comment: 4 pages, extended result

Optimized energy calculation in lattice systems with long-range interactions

We discuss an efficient approach to the calculation of the internal energy in numerical simulations of spin systems with long-range interactions. Although, since the introduction of the Luijten-Bl\"ote algorithm, Monte Carlo simulations of these systems no longer pose a fundamental problem, the energy calculation is still an O(N^2) problem for systems of size N. We show how this can be reduced to an O(N logN) problem, with a break-even point that is already reached for very small systems. This allows the study of a variety of, until now hardly accessible, physical aspects of these systems. In particular, we combine the optimized energy calculation with histogram interpolation methods to investigate the specific heat of the Ising model and the first-order regime of the three-state Potts model with long-range interactions.Comment: 10 pages, including 8 EPS figures. To appear in Phys. Rev. E. Also available as PDF file at http://www.cond-mat.physik.uni-mainz.de/~luijten/erikpubs.htm

Accurate and efficient method for the treatment of exchange in a plane-wave basis.

Published versio

Fast Fourier Optimization: Sparsity Matters

Many interesting and fundamentally practical optimization problems, ranging from optics, to signal processing, to radar and acoustics, involve constraints on the Fourier transform of a function. It is well-known that the {\em fast Fourier transform} (fft) is a recursive algorithm that can dramatically improve the efficiency for computing the discrete Fourier transform. However, because it is recursive, it is difficult to embed into a linear optimization problem. In this paper, we explain the main idea behind the fast Fourier transform and show how to adapt it in such a manner as to make it encodable as constraints in an optimization problem. We demonstrate a real-world problem from the field of high-contrast imaging. On this problem, dramatic improvements are translated to an ability to solve problems with a much finer grid of discretized points. As we shall show, in general, the "fast Fourier" version of the optimization constraints produces a larger but sparser constraint matrix and therefore one can think of the fast Fourier transform as a method of sparsifying the constraints in an optimization problem, which is usually a good thing.Comment: 16 pages, 8 figure

Hierarchical search strategy for the detection of gravitational waves from coalescing binaries: Extension to post-Newtonian wave forms

The detection of gravitational waves from coalescing compact binaries would be a computationally intensive process if a single bank of template wave forms (i.e., a one step search) is used. In an earlier paper we had presented a detection strategy, called a two step search}, that utilizes a hierarchy of template banks. It was shown that in the simple case of a family of Newtonian signals, an on-line two step search was about 8 times faster than an on-line one step search (for initial LIGO). In this paper we extend the two step search to the more realistic case of zero spin 1.5 post-Newtonian wave forms. We also present formulas for detection and false alarm probabilities which take statistical correlations into account. We find that for the case of a 1.5 post-Newtonian family of templates and signals, an on-line two step search requires about 1/21 the computing power that would be required for the corresponding on-line one step search. This reduction is achieved when signals having strength S = 10.34 are required to be detected with a probability of 0.95, at an average of one false event per year, and the noise power spectral density used is that of advanced LIGO. For initial LIGO, the reduction achieved in computing power is about 1/27 for S = 9.98 and the same probabilities for detection and false alarm as above.Comment: 30 page RevTeX file and 17 figures (postscript). Submitted to PRD Feb 21, 199

Avian thermoregulation in the heat : efficient evaporative cooling in two southern African nightjars

Please read abstract in the article.The DST-NRF Center of Excellence at the Percy FitzPatrick Institute and University of Pretoria.http://link.springer.com/journal/3602018-04-30hj2018Zoology and Entomolog

Approximate Quantum Fourier Transform and Decoherence

We discuss the advantages of using the approximate quantum Fourier transform (AQFT) in algorithms which involve periodicity estimations. We analyse quantum networks performing AQFT in the presence of decoherence and show that extensive approximations can be made before the accuracy of AQFT (as compared with regular quantum Fourier transform) is compromised. We show that for some computations an approximation may imply a better performance.Comment: 14 pages, 10 fig. (8 *.eps files). More information on http://eve.physics.ox.ac.uk/QChome.html http://www.physics.helsinki.fi/~kasuomin http://www.physics.helsinki.fi/~kira/group.htm