1,580 research outputs found
Conservation Properties in the Time-Dependent Hartree Fock Theory
We discuss the conservation of angular momentum in nuclear time-dependent
Hartree-Fock calculations for a numerical representation of wave functions and
potentials on a three-dimensional cartesian grid. Free rotation of a deformed
nucleus performs extremely well even for relatively coarse spatial grids. Heavy
ion collisions produce a highly excited compound system associated with
substantial nucleon emission. These emitted nucleons reach the bounds of the
numerical box which leads to a decrease of angular momentum. We discuss
strategies to distinguish the physically justified loss from numerical
artifacts.Comment: 4 page
Exploration of dynamical regimes of irradiated small protonated water clusters
We explore from a theoretical perspective the dynamical response of small
water clusters, (HO)HO with , to a short laser pulse
for various frequencies, from infrared (IR) to ultra-violet (UV) and
intensities (from W/cm to W/cm). To
that end, we use time-dependent local-density approximation for the electrons,
coupled to molecular dynamics for the atomic cores (TDLDA-MD). The
local-density approximation is augmented by a self-interaction correction (SIC)
to allow for a correct description of electron emission. For IR frequencies, we
see a direct coupling of the laser field to the very light H ions in the
clusters. Resonant coupling (in the UV) and/or higher intensities lead to fast
ionization with subsequent Coulomb explosion. The stability against Coulomb
pressure increases with system size. Excitation to lower ionization stages
induced strong ionic vibrations. These maintain rather harmonic pattern in
spite of the sizeable amplitudes (often 10% of the bond length).Comment: accepted in Eur. J. Phys.
Time resolved fission in metal clusters
We explore from a theoretical point of view pump and probe (P&P) analysis for
fission of metal clusters where probe pulses are generalized to allow for
scanning various frequencies. We show that it is possible to measure the time
the system needs to develop to scission. This is achieved by a proper choice of
both delay and frequency of the probe pulse. A more detailed analysis even
allows to access the various intermediate stages of the fission process.Comment: 4 pages, 4 figure
Potential energy surfaces of superheavy nuclei
We investigate the structure of the potential energy surfaces of the
superheavy nuclei 258Fm, 264Hs, (Z=112,N=166), (Z=114,N=184), and (Z=120,N=172)
within the framework of self-consistent nuclear models, i.e. the
Skyrme-Hartree-Fock approach and the relativistic mean-field model. We compare
results obtained with one representative parametrisation of each model which is
successful in describing superheavy nuclei. We find systematic changes as
compared to the potential energy surfaces of heavy nuclei in the uranium
region: there is no sufficiently stable fission isomer any more, the importance
of triaxial configurations to lower the first barrier fades away, and
asymmetric fission paths compete down to rather small deformation. Comparing
the two models, it turns out that the relativistic mean-field model gives
generally smaller fission barriers.Comment: 8 pages RevTeX, 6 figure
Infrared electron modes in light deformed clusters
Infrared quadrupole modes (IRQM) of the valence electrons in light deformed
sodium clusters are studied by means of the time-dependent local-density
approximation (TDLDA). IRQM are classified by angular momentum components
20, 21 and 22 whose branches are separated by cluster
deformation. In light clusters with a low spectral density, IRQM are
unambiguously related to specific electron-hole excitations, thus giving access
to the single-electron spectrum near the Fermi surface (HOMO-LUMO region). Most
of IRQM are determined by cluster deformation and so can serve as a sensitive
probe of the deformation effects in the mean field. The IRQM branch 21 is coupled with the magnetic scissors mode, which gives a chance to detect
the latter. We discuss two-photon processes, Raman scattering (RS), stimulated
emission pumping (SEP), and stimulated adiabatic Raman passage (STIRAP), as the
relevant tools to observe IRQM. A new method to detect the IRQM population in
clusters is proposed.Comment: 22 pages, 6 figure
A sugar beet chlorophyll a/b binding protein promoter void of G-box like elements confers strong and leaf specific reporter gene expression in transgenic sugar beet
BACKGROUND: Modification of leaf traits in sugar beet requires a strong leaf specific promoter. With such a promoter, expression in taproots can be avoided which may otherwise take away available energy resources for sugar accumulation. RESULTS: Suppression Subtractive Hybridization (SSH) was utilized to generate an enriched and equalized cDNA library for leaf expressed genes from sugar beet. Fourteen cDNA fragments corresponding to thirteen different genes were isolated. Northern blot analysis indicates the desired tissue specificity of these genes. The promoters for two chlorophyll a/b binding protein genes (Bvcab11 and Bvcab12) were isolated, linked to reporter genes, and transformed into sugar beet using promoter reporter gene fusions. Transient and transgenic analysis indicate that both promoters direct leaf specific gene expression. A bioinformatic analysis revealed that the Bvcab11 promoter is void of G-box like regulatory elements with a palindromic ACGT core sequence. The data indicate that the presence of a G-box element is not a prerequisite for leaf specific and light induced gene expression in sugar beet. CONCLUSIONS: This work shows that SSH can be successfully employed for the identification and subsequent isolation of tissue specific sugar beet promoters. These promoters are shown to drive strong leaf specific gene expression in transgenic sugar beet. The application of these promoters for expressing resistance improving genes against foliar diseases is discussed
Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation
We demonstrate that the time-dependent Krieger-Li-Iafrate approximation in
combination with the exchange-only functional violates the `Zero-Force
Theorem'. By analyzing the time-dependent dipole moment of Na5 and Na9+, we
furthermore show that this can lead to an unphysical self-excitation of the
system depending on the system properties and the excitation strength.
Analytical aspects, especially the connection between the `Zero-Force Theorem'
and the `Generalized-Translation Invariance' of the potential, are discussed.Comment: 5 pages, 4 figure
Inferring Energy Bounds via Static Program Analysis and Evolutionary Modeling of Basic Blocks
The ever increasing number and complexity of energy-bound devices (such as
the ones used in Internet of Things applications, smart phones, and mission
critical systems) pose an important challenge on techniques to optimize their
energy consumption and to verify that they will perform their function within
the available energy budget. In this work we address this challenge from the
software point of view and propose a novel parametric approach to estimating
tight bounds on the energy consumed by program executions that are practical
for their application to energy verification and optimization. Our approach
divides a program into basic (branchless) blocks and estimates the maximal and
minimal energy consumption for each block using an evolutionary algorithm. Then
it combines the obtained values according to the program control flow, using
static analysis, to infer functions that give both upper and lower bounds on
the energy consumption of the whole program and its procedures as functions on
input data sizes. We have tested our approach on (C-like) embedded programs
running on the XMOS hardware platform. However, our method is general enough to
be applied to other microprocessor architectures and programming languages. The
bounds obtained by our prototype implementation can be tight while remaining on
the safe side of budgets in practice, as shown by our experimental evaluation.Comment: Pre-proceedings paper presented at the 27th International Symposium
on Logic-Based Program Synthesis and Transformation (LOPSTR 2017), Namur,
Belgium, 10-12 October 2017 (arXiv:1708.07854). Improved version of the one
presented at the HIP3ES 2016 workshop (v1): more experimental results (added
benchmark to Table 1, added figure for new benchmark, added Table 3),
improved Fig. 1, added Fig.
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
In the present work, we introduce a self-consistent density-functional embedding technique, which leaves the realm of standard energy-functional approaches in density functional theory and targets directly the density-to-potential mapping that lies at its heart. Inspired by the density matrix embedding theory, we project the full system onto a set of small interacting fragments that can be solved accurately. Based on the rigorous relation of density and potential in density functional theory, we then invert the fragment densities to local potentials. Combining these results in a continuous manner provides an update for the KohnâSham potential of the full system, which is then used to update the projection. We benchmark our approach for molecular bond stretching in one and two dimensions and show that, in these cases, the scheme converges to accurate approximations for densities and KohnâSham potentials. We demonstrate that the known steps and peaks of the exact exchange-correlation potential are reproduced by our method with remarkable accuracy
Dynamics of metal clusters in rare gas clusters
We investigate the dynamics of Na clusters embedded in Ar matrices. We use a
hierarchical approach, accounting microscopically for the cluster's degrees of
freedom and more coarsely for the matrix. The dynamical polarizability of the
Ar atoms and the strong Pauli-repulsion exerted by the Ar-electrons are taken
into account. We discuss the impact of the matrix on the cluster gross
properties and on its optical response. We then consider a realistic case of
irradiation by a moderately intense laser and discuss the impact of the matrix
on the hindrance of the explosion, as well as a possible pump probe scenario
for analyzing dynamical responses.Comment: Proceedings of the 30th International Workshop on Condensed Matter
Theories, Dresden, June 05 - 10, 2006, World Scientific. 3 figure
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