Correlated exponential functions in high precision calculations for diatomic molecules

Various properties of the general two-center two-electron integral over the explicitly correlated exponential function are analyzed for the potential use in high precision calculations for diatomic molecules. A compact one dimensional integral representation is found, which is suited for the numerical evaluation. Together with recurrence relations, it makes possible the calculation of the two-center two-electron integral with arbitrary powers of electron distances. Alternative approach via the Taylor series in the internuclear distance is also investigated. Although numerically slower, it can be used in cases when recurrences lose stability. Separate analysis is devoted to molecular integrals with integer powers of interelectronic distances $r_{12}$ and the vanishing corresponding nonlinear parameter. Several methods of their evaluation are proposed.Comment: 26 pages, includes two tables with exemplary calculation

Breakup of the aligned H2_2 molecule by xuv laser pulses: A time-dependent treatment in prolate spheroidal coordinates

We have carried out calculations of the triple-differential cross section for one-photon double ionization of molecular hydrogen for a central photon energy of $75$~eV, using a fully {\it ab initio}, nonperturbative approach to solve the time-dependent \Schro equation in prolate spheroidal coordinates. The spatial coordinates $\xi$ and $\eta$ are discretized in a finite-element discrete-variable representation. The wave packet of the laser-driven two-electron system is propagated in time through an effective short iterative Lanczos method to simulate the double ionization of the hydrogen molecule. For both symmetric and asymmetric energy sharing, the present results agree to a satisfactory level with most earlier predictions for the absolute magnitude and the shape of the angular distributions. A notable exception, however, concerns the predictions of the recent time-independent calculations based on the exterior complex scaling method in prolate spheroidal coordinates [Phys.~Rev.~A~{\bf 82}, 023423 (2010)]. Extensive tests of the numerical implementation were performed, including the effect of truncating the Neumann expansion for the dielectronic interaction on the description of the initial bound state and the predicted cross sections. We observe that the dominant escape mode of the two photoelectrons dramatically depends upon the energy sharing. In the parallel geometry, when the ejected electrons are collected along the direction of the laser polarization axis, back-to-back escape is the dominant channel for strongly asymmetric energy sharing, while it is completely forbidden if the two electrons share the excess energy equally.Comment: 17 pages, 9 figure

Microscopic dynamics of thin hard rods

Based on the collision rules for hard needles we derive a hydrodynamic equation that determines the coupled translational and rotational dynamics of a tagged thin rod in an ensemble of identical rods. Specifically, based on a Pseudo-Liouville operator for binary collisions between rods, the Mori-Zwanzig projection formalism is used to derive a continued fraction representation for the correlation function of the tagged particle's density, specifying its position and orientation. Truncation of the continued fraction gives rise to a generalised Enskog equation, which can be compared to the phenomenological Perrin equation for anisotropic diffusion. Only for sufficiently large density do we observe anisotropic diffusion, as indicated by an anisotropic mean square displacement, growing linearly with time. For lower densities, the Perrin equation is shown to be an insufficient hydrodynamic description for hard needles interacting via binary collisions. We compare our results to simulations and find excellent quantitative agreement for low densities and qualtitative agreement for higher densities.Comment: 21 pages, 6 figures, v2: clarifications and improved readabilit

Weak Cosmic Censorship: As Strong as Ever

Spacetime singularities that arise in gravitational collapse are always hidden inside of black holes. This is the essence of the weak cosmic censorship conjecture. The hypothesis, put forward by Penrose 40 years ago, is still one of the most important open questions in general relativity. In this Letter, we reanalyze extreme situations which have been considered as counterexamples to the weak cosmic censorship conjecture. In particular, we consider the absorption of scalar particles with large angular momentum by a black hole. Ignoring back reaction effects may lead one to conclude that the incident wave may overspin the black hole, thereby exposing its inner singularity to distant observers. However, we show that when back reaction effects are properly taken into account, the stability of the black-hole event horizon is irrefutable. We therefore conclude that cosmic censorship is actually respected in this type of gedanken experiments.Comment: 4 page

Supervision of the ATLAS High Level Trigger System

Talk from the 2003 Computing in High Energy and Nuclear Physics (CHEP03), La Jolla, Ca, USA, March 2003, 6 pages, PDF (from MS Word). PSN TUGT009; Available at http://www.slac.stanford.edu/econf/C0303241/proc/papers/TUGT009.PDF pers/THJT006.PDFInternational audienceThe ATLAS High Level Trigger (HLT) system provides software-based event selection after the initial LVL1 hardware trigger. It is composed of two stages, the LVL2 trigger and the Event Filter. The HLT is implemented as software tasks running on large processor farms. An essential part of the HLT is the supervision system, which is responsible for configuring, coordinating, controlling and monitoring the many hundreds of processes running in the HLT. A prototype implementation of the supervision system, using tools from the ATLAS Online Software system is presented. Results from scalability tests are also presented where the supervision system was shown to be capable of controlling over 1000 HLT processes running on 230 nodes

Perturbations in the Kerr-Newman Dilatonic Black Hole Background: I. Maxwell waves

In this paper we analyze the perturbations of the Kerr-Newman dilatonic black hole background. For this purpose we perform a double expansion in both the background electric charge and the wave parameters of the relevant quantities in the Newman-Penrose formalism. We then display the gravitational, dilatonic and electromagnetic equations, which reproduce the static solution (at zero order in the wave parameter) and the corresponding wave equations in the Kerr background (at first order in the wave parameter and zero order in the electric charge). At higher orders in the electric charge one encounters corrections to the propagations of waves induced by the presence of a non-vanishing dilaton. An explicit computation is carried out for the electromagnetic waves up to the asymptotic form of the Maxwell field perturbations produced by the interaction with dilatonic waves. A simple physical model is proposed which could make these perturbations relevant to the detection of radiation coming from the region of space near a black hole.Comment: RevTeX, 36 pages in preprint style, 1 figure posted as a separate PS file, submitted to Phys. Rev.

Classical and quantum three-dimensional integrable systems with axial symmetry

We study the most general form of a three dimensional classical integrable system with axial symmetry and invariant under the axis reflection. We assume that the three constants of motion are the Hamiltonian, $H$, with the standard form of a kinetic part plus a potential dependent on the position only, the $z$-component of the angular momentum, $L$, and a Hamiltonian-like constant, $\widetilde H$, for which the kinetic part is quadratic in the momenta. We find the explicit form of these potentials compatible with complete integrability. The classical equations of motion, written in terms of two arbitrary potential functions, is separated in oblate spheroidal coordinates. The quantization of such systems leads to a set of two differential equations that can be presented in the form of spheroidal wave equations.Comment: 17 pages, 3 figure

Greybody Factors for Brane Scalar Fields in a Rotating Black-Hole Background

We study the evaporation of (4+n)-dimensional rotating black holes into scalar degrees of freedom on the brane. We calculate the corresponding absorption probabilities and cross-sections obtaining analytic solutions in the low-energy regime, and compare the derived analytic expressions to numerical results, with very good agreement. We then consider the high-energy regime, construct an analytic high-energy solution to the scalar-field equation by employing a new method, and calculate the absorption probability and cross-section for this energy regime, finding again a very good agreement with the exact numerical results. We also determine the high-energy asymptotic value of the total cross-section, and compare it to the analytic results derived from the application of the geometrical optics limit.Comment: Latex file, 30 pages, 5 figures, typos corrected, version published in Phys. Rev.

Chandra's Close Encounter with the Disintegrating Comets 73P/2006 (Schwassmann--Wachmann--3) Fragment B and C/1999 S4 (LINEAR)

On May 23, 2006 we used the ACIS-S instrument on the Chandra X-ray Observatory (CXO) to study the X-ray emission from the B fragment of comet 73P/2006 (Schwassmann-Wachmann 3) (73P/B). We obtained a total of 20 ks of CXO observation time of Fragment B, and also investigated contemporaneous ACE and SOHO solar wind physical data. The CXO data allow us to spatially resolve the detailed structure of the interaction zone between the solar wind and the fragment's coma at a resolution of ~ 1,000 km, and to observe the X-ray emission due to multiple comet--like bodies. We detect a change in the spectral signature with the ratio of the CV/OVII line increasing with increasing collisional opacity as predicted by Bodewits \e (2007). The line fluxes arise from a combination of solar wind speed, the species that populate the wind and the gas density of the comet. We are able to understand some of the observed X-ray morphology in terms of non-gravitational forces that act upon an actively outgassing comet's debris field. We have used the results of the Chandra observations on the highly fragmented 73P/B debris field to re-analyze and interpret the mysterious emission seen from comet C/1999 S4 (LINEAR) on August 1st, 2000, after the comet had completely disrupted. We find the physical situations to be similar in both cases, with extended X-ray emission due to multiple, small outgassing bodies in the field of view. Nevertheless, the two comets interacted with completely different solar winds, resulting in distinctly different spectra.Comment: accepted by ApJ, 44 Pages, including 4 tables and 14 figure

Solutions to Maxwell's Equations using Spheroidal Coordinates

Analytical solutions to the wave equation in spheroidal coordinates in the short wavelength limit are considered. The asymptotic solutions for the radial function are significantly simplified, allowing scalar spheroidal wave functions to be defined in a form which is directly reminiscent of the Laguerre-Gaussian solutions to the paraxial wave equation in optics. Expressions for the Cartesian derivatives of the scalar spheroidal wave functions are derived, leading to a new set of vector solutions to Maxwell's equations. The results are an ideal starting point for calculations of corrections to the paraxial approximation