169 research outputs found
Correlation effects in ionic crystals: I. The cohesive energy of MgO
High-level quantum-chemical calculations, using the coupled-cluster approach
and extended one-particle basis sets, have been performed for (Mg2+)n (O2-)m
clusters embedded in a Madelung potential. The results of these calculations
are used for setting up an incremental expansion for the correlation energy of
bulk MgO. This way, 96% of the experimental cohesive energy of the MgO crystal
is recovered. It is shown that only 60% of the correlation contribution to the
cohesive energy is of intra-ionic origin, the remaining part being caused by
van der Waals-like inter-ionic excitations.Comment: LaTeX, 20 pages, no figure
Material-Specific Investigations of Correlated Electron Systems
We present the results of numerical studies for selected materials with
strongly correlated electrons using a combination of the local-density
approximation and dynamical mean-field theory (DMFT). For the solution of the
DMFT equations a continuous-time quantum Monte-Carlo algorithm was employed.
All simulations were performed on the supercomputer HLRB II at the Leibniz
Rechenzentrum in Munich. Specifically we have analyzed the pressure induced
metal-insulator transitions in Fe2O3 and NiS2, the charge susceptibility of the
fluctuating-valence elemental metal Yb, and the spectral properties of a
covalent band-insulator model which includes local electronic correlations.Comment: 14 pages, 7 figures, to appear in "High Performance Computing in
Science and Engineering, Garching 2009" (Springer
Dynamics of Entanglement in One-Dimensional Spin Systems
We study the dynamics of quantum correlations in a class of exactly solvable
Ising-type models. We analyze in particular the time evolution of initial Bell
states created in a fully polarized background and on the ground state. We find
that the pairwise entanglement propagates with a velocity proportional to the
reduced interaction for all the four Bell states. Singlet-like states are
favored during the propagation, in the sense that triplet-like states change
their character during the propagation under certain circumstances.
Characteristic for the anisotropic models is the instantaneous creation of
pairwise entanglement from a fully polarized state; furthermore, the
propagation of pairwise entanglement is suppressed in favor of a creation of
different types of entanglement. The ``entanglement wave'' evolving from a Bell
state on the ground state turns out to be very localized in space-time. Further
support to a recently formulated conjecture on entanglement sharing is given.Comment: 25 pages, 21 figures; revte
Spin-gravity coupling and gravity-induced quantum phases
External gravitational fields induce phase factors in the wave functions of
particles. The phases are exact to first order in the background gravitational
field, are manifestly covariant and gauge invariant and provide a useful tool
for the study of spin-gravity coupling and of the optics of particles in
gravitational or inertial fields. We discuss the role that spin-gravity
coupling plays in particular problems.Comment: 18 pages, 1 figur
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The Physarum polycephalum Genome Reveals Extensive Use of Prokaryotic Two-Component and Metazoan-Type Tyrosine Kinase Signaling
Physarum polycephalum is a well-studied microbial eukaryote with unique experimental attributes relative to other experimental
model organisms. It has a sophisticated life cycle with several distinct stages including amoebal, flagellated, and plasmodial cells. It is
unusual in switching between open and closed mitosis according to specific life-cycle stages. Here we present the analysis of the
genome of this enigmatic and important model organism and compare it with closely related species. The genome is littered with
simple and complex repeats and the coding regions are frequently interrupted by introns with a mean size of 100 bases.
Complemented with extensive transcriptome data, we define approximately 31,000 gene loci, providing unexpected insights into
earlyeukaryoteevolution.Wedescribeextensiveuseofhistidinekinase-basedtwo-componentsystemsandtyrosinekinasesignaling,
the presence of bacterial and plant type photoreceptors (phytochromes, cryptochrome, and phototropin) and of plant-type pentatricopeptide
repeat proteins, as well as metabolic pathways, and a cell cycle control system typically found in more complex eukaryotes.
Our analysis characterizes P. polycephalum as a prototypical eukaryote with features attributed to the last common ancestor of
Amorphea, that is, the Amoebozoa and Opisthokonts. Specifically, the presence of tyrosine kinases inAcanthamoeba and Physarum
as representatives of two distantly related subdivisions ofAmoebozoa argues against the later emergence of tyrosine kinase signaling
in the opisthokont lineage and also against the acquisition by horizontal gene transfe
Magnetic Field Amplification in Galaxy Clusters and its Simulation
We review the present theoretical and numerical understanding of magnetic
field amplification in cosmic large-scale structure, on length scales of galaxy
clusters and beyond. Structure formation drives compression and turbulence,
which amplify tiny magnetic seed fields to the microGauss values that are
observed in the intracluster medium. This process is intimately connected to
the properties of turbulence and the microphysics of the intra-cluster medium.
Additional roles are played by merger induced shocks that sweep through the
intra-cluster medium and motions induced by sloshing cool cores. The accurate
simulation of magnetic field amplification in clusters still poses a serious
challenge for simulations of cosmological structure formation. We review the
current literature on cosmological simulations that include magnetic fields and
outline theoretical as well as numerical challenges.Comment: 60 pages, 19 Figure
The performance of the jet trigger for the ATLAS detector during 2011 data taking
The performance of the jet trigger for the ATLAS detector at the LHC during the 2011 data taking period is described. During 2011 the LHC provided protonâproton collisions with a centre-of-mass energy of 7 TeV and heavy ion collisions with a 2.76 TeV per nucleonânucleon collision energy. The ATLAS trigger is a three level system designed to reduce the rate of events from the 40 MHz nominal maximum bunch crossing rate to the approximate 400 Hz which can be written to offline storage. The ATLAS jet trigger is the primary means for the online selection of events containing jets. Events are accepted by the trigger if they contain one or more jets above some transverse energy threshold. During 2011 data taking the jet trigger was fully efficient for jets with transverse energy above 25 GeV for triggers seeded randomly at Level 1. For triggers which require a jet to be identified at each of the three trigger levels, full efficiency is reached for offline jets with transverse energy above 60 GeV. Jets reconstructed in the final trigger level and corresponding to offline jets with transverse energy greater than 60 GeV, are reconstructed with a resolution in transverse energy with respect to offline jets, of better than 4 % in the central region and better than 2.5 % in the forward direction
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