Generalized Pauli constraints in reduced density matrix functional theory

Functionals of the one-body reduced density matrix (1-RDM) are routinely minimized under Coleman's ensemble $N$-representability conditions. Recently, the topic of pure-state $N$-representability conditions, also known as generalized Pauli constraints, received increased attention following the discovery of a systematic way to derive them for any number of electrons and any finite dimensionality of the Hilbert space. The target of this work is to assess the potential impact of the enforcement of the pure-state conditions on the results of reduced density-matrix functional theory calculations. In particular, we examine whether the standard minimization of typical 1-RDM functionals under the ensemble $N$-representability conditions violates the pure-state conditions for prototype 3-electron systems. We also enforce the pure-state conditions, in addition to the ensemble ones, for the same systems and functionals and compare the correlation energies and optimal occupation numbers with those obtained by the enforcement of the ensemble conditions alone

Exact Kohn-Sham potential of strongly correlated finite systems

The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available functionals accounts for strong on-site correlation. This problem has led to a discussion of properties that the local Kohn-Sham potential has to satisfy in order to correctly describe strongly correlated systems. We derive an analytic expression for this potential at the dissociation limit and show that the numerical calculations for a one-dimensional two electron model system indeed approach and reach this limit. It is shown that the functional form of the potential is universal, i.e. independent of the details of the system.Comment: 17 pages, 3 figures, submitted to JC

Redshifts of the Gravitational Lenses MG0414+0534 and MG0751+2716

We report redshifts in two gravitational lens systems, MG0414+0534 and MG0751+2716. The lens galaxy in MG0414+0534 lies at z_l=0.9584+/-0.0002. The luminosity and extreme red color of the lens are then typical of a passively evolving, early-type, ~2L* galaxy. The galaxy cannot have a significant global mean extinction without being anomalously luminous. The lens galaxy in MG0751+2716 has a redshift of z_l=0.3502+/-0.0003 and it is a member of a small group. The group includes the nearby, bright companion galaxy whose redshift we confirmed to be z=0.3501+/-0.0001 and a nearby emission line galaxy with z=0.3505+/-0.0003. A second emission line galaxy with z=0.5216+/-0.0001 was found nearly superposed on the first emission line galaxy. The source in MG0751+2716 is a z_s=3.200+/-0.001 radio quasar. For flat universes with Omega_0=1.0 (0.3), 96% (87%) of lenses like MG0414+0534 and 7% (3%) of lenses like MG0751+2716 are expected to have lower lens redshifts than observed.Comment: 9 pages, AASTeX Latex, including 5 Postscript figures, submitted to Astronomical Journa

Gravitational lensing statistics with extragalactic surveys. II. Analysis of the Jodrell Bank-VLA Astrometric Survey

We present constraints on the cosmological constant $\lambda_{0}$ from gravitational lensing statistics of the Jodrell Bank-VLA Astrometric Survey (JVAS). Although this is the largest gravitational lens survey which has been analysed, cosmological constraints are only comparable to those from optical surveys. This is due to the fact that the median source redshifts of JVAS are lower, which leads to both relatively fewer lenses in the survey and a weaker dependence on the cosmological parameters. Although more approximations have to be made than is the case for optical surveys, the consistency of the results with those from optical gravitational lens surveys and other cosmological tests indicate that this is not a major source of uncertainty in the results. However, joint constraints from a combination of radio and optical data are much tighter. Thus, a similar analysis of the much larger Cosmic Lens All-Sky Survey should provide even tighter constraints on the cosmological constant, especially when combined with data from optical lens surveys. At 95% confidence, our lower and upper limits on $\lambda_{0}-\Omega_{0}$, using the JVAS lensing statistics information alone, are respectively -2.69 and 0.68. For a flat universe, these correspond to lower and upper limits on \lambda_{0} of respectively -0.85 and 0.84. Using the combination of JVAS lensing statistics and lensing statistics from the literature as discussed in Quast & Helbig (Paper I) the corresponding $\lambda_{0}-\Omega_{0}$ values are -1.78 and 0.27. For a flat universe, these correspond to lower and upper limits on $\lambda_{0}$ of respectively -0.39 and 0.64.Comment: LaTeX, 9 pages, 18 PostScript files in 6 figures. Paper version available on request. Data available from http://gladia.astro.rug.nl:8000/ceres/data_from_papers/papers.htm

Channel Plate Detection in Low Energy Scanning Electron Microscopy

Microchannel plate (MCP) electron detectors compare favorably with the Everhart-Thornley detector for producing SEM images from both secondary and back-scattered electrons. The MCP is a compact array of 105 - 106 channel electron multipliers with a gain in excess of 106 and the collective ability to count ~ 108 electrons per second. The MCP can be mounted coaxially with the beam allowing un-tilted sample orientation and electron collection into a large, field-free solid angle. The speed and low noise of the MCP allow images to be made in less than one second at moderate beam currents or in longer times with very low beam currents. Because of the wide detection angle, images from coaxially located MCP\u27s show little loss of detail due to shadowing but by the same token are peculiarly flat in appearance. This suggests that they might usefully complement another detector in many applications. Lifetime data are still limited, but the detectors used for this report show no noticeable deterioration with well over 100 hours of use

Dark Energy and the Statistical Study of the Observed Image Separations of the Multiply Imaged Systems in the CLASS Statistical Sample

The present day observations favour a universe which is flat, accelerated and composed of $\sim 1/3$ matter (baryonic + dark) and $\sim 2/3$ of a negative pressure component, usually referred to as dark energy or quintessence. The Cosmic Lens All Sky Survey (CLASS), the largest radio-selected galactic mass scale gravitational lens search project to date, has resulted in the largest sample suitable for statistical analyses. In the work presented here, we exploit observed image separations of the multiply imaged lensed radio sources in the sample. We use two different tests: (1) image separation distribution function $n(\Delta\theta)$ of the lensed radio sources and (2) {\dtheta}_{\mathrm{pred}} vs {\dtheta}_{\mathrm{obs}} as observational tools to constrain the cosmological parameters $w$ and \Om. The results are in concordance with the bounds imposed by other cosmological tests.Comment: 20 pages latex; Modified " Results and Discussion " section, new references adde

Lensing galaxies: light or dark?

In a recent paper, Hawkins (1997) argues on the basis of statistical studies of double-image gravitational lenses and lens candidates that a large population of dark lenses exists and that these outnumber galaxies with more normal mass-to-light ratios by a factor of 3:1. If correct, this is a very important result for many areas of astronomy including galaxy formation and cosmology. In this paper we discuss our new radio-selected gravitational lens sample, JVAS/CLASS, in order to test and constrain this proposition. We have obtained ground-based and HST images of all multiple-image lens systems in our sample and in 12 cases out of 12 we find the lensing galaxies in the optical and/or near infrared. Our success in finding lensing galaxies creates problems for the dark lens hypothesis. If it is to survive, ad hoc modifications seem to be necessary: only very massive galaxies (more than about one trillion solar masses) can be dark, and the cutoff in mass must be sharp. Our finding of lens galaxies in all the JVAS/CLASS systems is complementary evidence which supports the conclusion of Kochanek et al. (1997) that many of the wide-separation optically-selected pairs are physically distinct quasars rather than gravitational lens systems.Comment: 4 pages, 2 included figures, accepted for publication in Astronomy and Astrophysics. Paper version available on request. This replacement amends the text to allow more discussion of the overlap with astro-ph/971016

MEVA - An interactive visualization application for validation of multifaceted meteorological data with multiple 3D devices

To achieve more realistic simulations, meteorologists develop and use models with increasing spatial and temporal resolution. The analyzing, comparing, and visualizing of resulting simulations becomes more and more challenging due to the growing amounts and multifaceted character of the data. Various data sources, numerous variables and multiple simulations lead to a complex database. Although a variety of software exists suited for the visualization of meteorological data, none of them fulfills all of the typical domain-specific requirements: support for quasi-standard data formats and different grid types, standard visualization techniques for scalar and vector data, visualization of the context (e.g., topography) and other static data, support for multiple presentation devices used in modern sciences (e.g., virtual reality), a user-friendly interface, and suitability for cooperative work

Poly-MTO, {(CH_3)_{0.92} Re O_3}_\infty, a Conducting Two-Dimensional Organometallic Oxide

Polymeric methyltrioxorhenium, {(CH_{3})_{0.92}ReO_{3}}_{\infty} (poly-MTO), is the first member of a new class of organometallic hybrids which adopts the structural pattern and physical properties of classical perovskites in two dimensions (2D). We demonstrate how the electronic structure of poly-MTO can be tailored by intercalation of organic donor molecules, such as tetrathiafulvalene (TTF) or bis-(ethylendithio)-tetrathiafulvalene (BEDT-TTF), and by the inorganic acceptor SbF$_3$. Integration of donor molecules leads to a more insulating behavior of poly-MTO, whereas SbF$_3$ insertion does not cause any significant change in the resistivity. The resistivity data of pure poly-MTO is remarkably well described by a two-dimensional electron system. Below 38 K an unusual resistivity behavior, similar to that found in doped cuprates, is observed: The resistivity initially increases approximately as $\rho \sim$ ln$(1/T$) before it changes into a $\sqrt{T}$ dependence below 2 K. As an explanation we suggest a crossover from purely two-dimensional charge-carrier diffusion within the \{ReO$_2$\}$_{\infty}$ planes at high temperatures to three-dimensional diffusion at low temperatures in a disorder-enhanced electron-electron interaction scenario (Altshuler-Aronov correction). Furthermore, a linear positive magnetoresistance was found in the insulating regime, which is caused by spatial localization of itinerant electrons at some of the Re atoms, which formally adopt a $5d^1$ electronic configuration. X-ray diffraction, IR- and ESR-studies, temperature dependent magnetization and specific heat measurements in various magnetic fields suggest that the electronic structure of poly-MTO can safely be approximated by a purely 2D conductor.Comment: 15 pages, 16 figures, 2 table