707 research outputs found
Charge-transfer in time-dependent density-functional theory via spin-symmetry-breaking
Long-range charge-transfer excitations pose a major challenge for
time-dependent density functional approximations. We show that
spin-symmetry-breaking offers a simple solution for molecules composed of
open-shell fragments, yielding accurate excitations at large separations when
the acceptor effectively contains one active electron. Unrestricted
exact-exchange and self-interaction-corrected functionals are performed on
one-dimensional models and the real LiH molecule within the pseudopotential
approximation to demonstrate our results.Comment: 5 pages, 4 figure
Cyclic Statistics In Three Dimensions
While 2-dimensional quantum systems are known to exhibit non-permutation,
braid group statistics, it is widely expected that quantum statistics in
3-dimensions is solely determined by representations of the permutation group.
This expectation is false for certain 3-dimensional systems, as was shown by
the authors of ref. [1,2,3]. In this work we demonstrate the existence of
``cyclic'', or , {\it non-permutation group} statistics for a system of n
> 2 identical, unknotted rings embedded in . We make crucial use of a
theorem due to Goldsmith in conjunction with the so called Fuchs-Rabinovitch
relations for the automorphisms of the free product group on n elements.Comment: 13 pages, 1 figure, LaTex, minor page reformattin
Non-linear phenomena in time-dependent density-functional theory: What Rabi physics can teach us
Through the exact solution of a two-electron system interacting with a
monochromatic laser we prove that all adiabatic density functionals within
time-dependent density-functional theory are not able to discern between
resonant and non-resonant (detuned) Rabi oscillations. This is rationalized in
terms of a fictitious dynamical exchange-correlation (xc) detuning of the
resonance while the laser is acting. The non-linear dynamics of the Kohn-Sham
system shows the characteristic features of detuned Rabi oscillations even if
the exact resonant frequency is used. We identify the source of this error in a
contribution from the xc-functional to the non-linear equations describing the
electron dynamics in an effective two-level system. The constraint of
preventing the detuning introduces a new strong condition to be satisfied by
approximate xc-functionals
An Analysis of the Representations of the Mapping Class Group of a Multi-Geon Three-Manifold
It is well known that the inequivalent unitary irreducible representations
(UIR's) of the mapping class group of a 3-manifold give rise to ``theta
sectors'' in theories of quantum gravity with fixed spatial topology. In this
paper, we study several families of UIR's of and attempt to understand the
physical implications of the resulting quantum sectors. The mapping class group
of a three-manifold which is the connected sum of with a finite number
of identical irreducible primes is a semi-direct product group. Following
Mackey's theory of induced representations, we provide an analysis of the
structure of the general finite dimensional UIR of such a group. In the picture
of quantized primes as particles (topological geons), this general
group-theoretic analysis enables one to draw several interesting qualitative
conclusions about the geons' behavior in different quantum sectors, without
requiring an explicit knowledge of the UIR's corresponding to the individual
primes.Comment: 52 pages, harvmac, 2 postscript figures, epsf required. Added an
appendix proving the semi-direct product structure of the MCG, corrected an
error in the characterization of the slide subgroup, reworded extensively.
All our analysis and conclusions remain as befor
A new application of reduced Rayleigh equations to electromagnetic wave scattering by two-dimensional randomly rough surfaces
The small perturbations method has been extensively used for waves scattering
by rough surfaces. The standard method developped by Rice is difficult to apply
when we consider second and third order of scattered fields as a function of
the surface height. Calculations can be greatly simplified with the use of
reduced Rayleigh equations, because one of the unknown fields can be
eliminated. We derive a new set of four reduced equations for the scattering
amplitudes, which are applied to the cases of a rough conducting surface, and
to a slab where one of the boundary is a rough surface. As in the
one-dimensional case, numerical simulations show the appearance of enhanced
backscattering for these structures.Comment: RevTeX 4 style, 38 pages, 16 figures, added references and comments
on the satellites peak
Two-Scale Kirchhoff Theory: Comparison of Experimental Observations With Theoretical Prediction
We introduce a non-perturbative two scale Kirchhoff theory, in the context of
light scattering by a rough surface. This is a two scale theory which considers
the roughness both in the wavelength scale (small scale) and in the scales much
larger than the wavelength of the incident light (large scale). The theory can
precisely explain the small peaks which appear at certain scattering angles.
These peaks can not be explained by one scale theories. The theory was assessed
by calculating the light scattering profiles using the Atomic Force Microscope
(AFM) images, as well as surface profilometer scans of a rough surface, and
comparing the results with experiments. The theory is in good agreement with
the experimental results.Comment: 6 pages, 8 figure
Epigenetic control of nuclear architecture
The cell nucleus is a highly structured compartment where nuclear components are thought to localize in non-random positions. Correct positioning of large chromatin domains may have a direct impact on the localization of other nuclear components, and can therefore influence the global functionality of the nuclear compartment. DNA methylation of cytosine residues in CpG dinucleotides is a prominent epigenetic modification of the chromatin fiber. DNA methylation, in conjunction with the biochemical modification pattern of histone tails, is known to lock chromatin in a close and transcriptionally inactive conformation. The relationship between DNA methylation and large-scale organization of nuclear architecture, however, is poorly understood. Here we briefly summarize present concepts of nuclear architecture and current data supporting a link between DNA methylation and the maintenance of large-scale nuclear organization
Les Houches 2015: Physics at TeV colliders - new physics working group report
We present the activities of the 'New Physics' working group for the 'Physics
at TeV Colliders' workshop (Les Houches, France, 1-19 June, 2015). Our report
includes new physics studies connected with the Higgs boson and its properties,
direct search strategies, reinterpretation of the LHC results in the building
of viable models and new computational tool developments. Important signatures
for searches for natural new physics at the LHC and new assessments of the
interplay between direct dark matter searches and the LHC are also considered.Comment: Proceedings of the New Physics Working Group of the 2015 Les Houches
Workshop, Physics at TeV Colliders, Les Houches 1-19 June 2015. 197 page
Les Houches 2011: Physics at TeV Colliders New Physics Working Group Report
We present the activities of the "New Physics" working group for the "Physics
at TeV Colliders" workshop (Les Houches, France, 30 May-17 June, 2011). Our
report includes new agreements on formats for interfaces between computational
tools, new tool developments, important signatures for searches at the LHC,
recommendations for presentation of LHC search results, as well as additional
phenomenological studies.Comment: 243 pages, report of the Les Houches 2011 New Physics Group; fix
three figure
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