Decoherent Histories and Non-adiabatic Quantum Molecular Dynamics

The role of quantum coherence loss in mixed quantum-classical dynamical systems is explored in the context of the theory of quantum decoherence introduced recently by Bittner and Rossky. (J. Chem. Phys. {\bf 103}, 8130 (1995)). This theory, which is based upon the consistent histories interpretation of quantum mechanics, introduces decoherence in the quantum subsystem by carefully considering the relevant time and length scales over which one must consider the effects of phase interference between alternative histories of the classical subsystem. Such alternative histories are an integral part of any quantum-classical computational scheme which employ transitions between discrete quantum states; consequently, the coherences between alternative histories have a profound effect on the transition probability between quantum states. In this paper, we review the Bittner-Rossky theory and detail a computational algorithm suitable for large-scale quantum molecular dynamics simulations which implements this theory. Application of the algorithm towards the relaxation of a photoexcited aqueous electron compare well to previous estimates of the excited state survival time as well as to the experimental measurements.Comment: 22 pages, 3 figure

Spin-dependent electron-hole capture kinetics in conjugated polymers

The recombination of electron-hole pairs injected in extended conjugated systems is modeled as a multi-pathway vibron-driven relaxation in monoexcited state-space. The computed triplet-to-singlet ratio of exciton formation times $r = \tau_T/\tau_S$ increases from 0.9 for a model dimer to 2.5 for a 32-unit chain, in excellent agreement with experiments. Therewith we rationalize recombination efficiency in terms of spin-dependent interstate vibronic coupling and spin- and conjugation-length-dependent exciton binding energies.Our model calculations for various length polymers indicate that the ratio of the singlet to triplet formation ratios, $r = \sigma_S/\sigma_T$, is inversely related to the ratio of the singlet and triplet binding energies, $\epsilon^b_S/\epsilon^b_T$

Computer-aided Melody Note Transcription Using the Tony Software: Accuracy and Efficiency

accepteddate-added: 2015-05-24 19:18:46 +0000 date-modified: 2017-12-28 10:36:36 +0000 keywords: Tony, melody, note, transcription, open source software bdsk-url-1: https://code.soundsoftware.ac.uk/attachments/download/1423/tony-paper_preprint.pdfdate-added: 2015-05-24 19:18:46 +0000 date-modified: 2017-12-28 10:36:36 +0000 keywords: Tony, melody, note, transcription, open source software bdsk-url-1: https://code.soundsoftware.ac.uk/attachments/download/1423/tony-paper_preprint.pdfWe present Tony, a software tool for the interactive an- notation of melodies from monophonic audio recordings, and evaluate its usability and the accuracy of its note extraction method. The scientific study of acoustic performances of melodies, whether sung or played, requires the accurate transcription of notes and pitches. To achieve the desired transcription accuracy for a particular application, researchers manually correct results obtained by automatic methods. Tony is an interactive tool directly aimed at making this correction task efficient. It provides (a) state-of-the art algorithms for pitch and note estimation, (b) visual and auditory feedback for easy error-spotting, (c) an intelligent graphical user interface through which the user can rapidly correct estimation errors, (d) extensive export functions enabling further processing in other applications. We show that Tony’s built in automatic note transcription method compares favourably with existing tools. We report how long it takes to annotate recordings on a set of 96 solo vocal recordings and study the effect of piece, the number of edits made and the annotator’s increasing mastery of the software. Tony is Open Source software, with source code and compiled binaries for Windows, Mac OS X and Linux available from https://code.soundsoftware.ac.uk/projects/tony/

Ising spins coupled to a four-dimensional discrete Regge skeleton

Regge calculus is a powerful method to approximate a continuous manifold by a simplicial lattice, keeping the connectivities of the underlying lattice fixed and taking the edge lengths as degrees of freedom. The discrete Regge model employed in this work limits the choice of the link lengths to a finite number. To get more precise insight into the behavior of the four-dimensional discrete Regge model, we coupled spins to the fluctuating manifolds. We examined the phase transition of the spin system and the associated critical exponents. The results are obtained from finite-size scaling analyses of Monte Carlo simulations. We find consistency with the mean-field theory of the Ising model on a static four-dimensional lattice.Comment: 19 pages, 7 figure

Development of Muon Drift-Tube Detectors for High-Luminosity Upgrades of the Large Hadron Collider

The muon detectors of the experiments at the Large Hadron Collider (LHC) have to cope with unprecedentedly high neutron and gamma ray background rates. In the forward regions of the muon spectrometer of the ATLAS detector, for instance, counting rates of 1.7 kHz/square cm are reached at the LHC design luminosity. For high-luminosity upgrades of the LHC, up to 10 times higher background rates are expected which require replacement of the muon chambers in the critical detector regions. Tests at the CERN Gamma Irradiation Facility showed that drift-tube detectors with 15 mm diameter aluminum tubes operated with Ar:CO2 (93:7) gas at 3 bar and a maximum drift time of about 200 ns provide efficient and high-resolution muon tracking up to the highest expected rates. For 15 mm tube diameter, space charge effects deteriorating the spatial resolution at high rates are strongly suppressed. The sense wires have to be positioned in the chamber with an accuracy of better than 50 ?micons in order to achieve the desired spatial resolution of a chamber of 50 ?microns up to the highest rates. We report about the design, construction and test of prototype detectors which fulfill these requirements

What makes slow samples slow in the Sherrington-Kirkpatrick model

Using results of a Monte Carlo simulation of the Sherrington-Kirkpatrick model, we try to characterize the slow disorder samples, namely we analyze visually the correlation between the relaxation time for a given disorder sample $J$ with several observables of the system for the same disorder sample. For temperatures below $T_c$ but not too low, fast samples (small relaxation times) are clearly correlated with a small value of the largest eigenvalue of the coupling matrix, a large value of the site averaged local field probability distribution at the origin, or a small value of the squared overlap $$. Within our limited data, the correlation remains as the system size increases but becomes less clear as the temperature is decreased (the correlation with$$ is more robust) . There is a strong correlation between the values of the relaxation time for two distinct values of the temperature, but this correlation decreases as the system size is increased. This may indicate the onset of temperature chaos