Search results for "Clusters"
showing 10 items of 1274 documents
Simulation-based marginal likelihood for cluster strong lensing cosmology
2015
Comparisons between observed and predicted strong lensing properties of galaxy clusters have been routinely used to claim either tension or consistency with $\Lambda$CDM cosmology. However, standard approaches to such cosmological tests are unable to quantify the preference for one cosmology over another. We advocate approximating the relevant Bayes factor using a marginal likelihood that is based on the following summary statistic: the posterior probability distribution function for the parameters of the scaling relation between Einstein radii and cluster mass, $\alpha$ and $\beta$. We demonstrate, for the first time, a method of estimating the marginal likelihood using the X-ray selected …
Towards nonlocal density functionals by explicit modelling of the exchange-correlation hole in inhomogeneous systems
2013
We put forward new approach for the development of a non-local density functional by a direct modeling of the shape of exchange-correlation (xc) hole in inhomogeneous systems. The functional is aimed at giving an accurate xc-energy and an accurate corresponding xc-potential even in difficult near-degeneracy situations such as molecular bond breaking. In particular we demand that: (1) the xc hole properly contains -1 electron, (2) the xc-potential has the asymptotic -1/r behavior outside finite systems and (3) the xc-potential has the correct step structure related to the derivative discontinuities of the xc-energy functional. None of the currently existing functionals satisfies all these re…
Point Group Symmetry Analysis of the Electronic Structure of Bare and Protected Metal Nanocrystals
2018
The electronic structures of a variety of experimentally identified gold and silver nanoclusters from 20 to 246 atoms, either unprotected or protected by several types of ligands, are characterized by using point group specific symmetry analysis. The delocalized electron states around the HOMO-LUMO energy gap, originating from the metal s-electrons in the cluster core, show symmetry characteristics according to the point group that describes best the atomic arrangement of the core. This indicates strong effects of the lattice structure and overall shape of the metal core to the electronic structure, which cannot be captured by the conventional analysis based on identification of spherical a…
Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants
2002
A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a dir…
Effects of the cluster surface on the electronic shell structure: faceting, roughness and softness
1995
Several simple models have been used to study the effects of the surface on the electronic shell structure in metal clusters. The main results are as follows: The icosahedral clusters have the same electronic shell structure as the sphere up to about 1000 atoms. The surface roughness causes the distribution of the level spacings to be a Wigner distribution. By varying the softness of the potential we can obtain potentials where the simplest classical orbits are the ‘five-point star’ or even ‘the three-point star’.
Coherent control in single plasmonic nanostructures
2015
Coherent control in plasmonic nanostructures is a door to space-time confinement of optical excitation and femtosecond super-resolution spectroscopy. Towards this goal, here we demonstrate femtosecond pulse-shaping of single gold nanostructure and local phase compensation.
Stability and synthesis of superheavy elements: Fighting the battle against fission – example of $^{254}$No
2016
International audience; Superheavy nuclei exist solely due to quantum shell effects,which create a pocket in the potential-energy surface of the nucleus, thusproviding a barrier against spontaneous fission. Determining the height ofthe fission barrier and its angular-momentum dependence is important toquantify the role that microscopic shell corrections play in enhancing andextending the limits of nuclear stability. In this talk, the first measurement ofa fission barrier in the very heavy nucleus 254No will be presented.
Shell structure and the fluctuation of the nuclear density distribution
1984
We investigate the relation between the density-fluctuations in nuclei and their description by single-particle models, i.e. the shell model and the Hartree-Fock method; the question is whether every shell-structure necessarily leads to those fluctuations. We demonstrate the flexibility of the single-particle models by constructing a shell-model potential and an effective Hartree-Fock potential, respectively, which produce completely flat distributions without any density fluctuation; this means that “shell structure” is not sufficient an explanation for the fluctuations. Only the additional requirement that the dynamical features of nuclei are also met selects a subclass of “reasonable” po…
Enhanced [4+2] cycloadditions by solvophobic effects and gravity-induced mixing in core-shell droplets
2017
A new way to perform reactions in core—shell double emulsions is reported herein. The phase boundaries of the threephase droplet flow were used to pressurize the reactants in the shell liquid, enhancing the reaction rate of a cycloaddition greatly in comparison to known methods. As key parameters, solvophobic effects and precise control over the droplet sizes were used to exploit a reaction with a negative volume of activation. The internal pressure of the reaction solution was regulated purely by the thickness of the shell liquid without adding additional reagents. Additionally, the reaction performed better when the core droplet was used to stir the shell droplet, considerably improving t…
Spectroscopy of Alkali Atoms in Solid Matrices of Rare Gases: Experimental Results and Theoretical Analysis
2022
We present an experimental and theoretical investigation of the spectroscopy of dilute alkali atoms in a solid matrix of inert gases at cryogenic temperatures, specifically Rubidium atoms in a solid Argon or Neon matrix, and related aspects of the interaction energies between the alkali atoms and the atoms of the solid matrix. The system considered is relevant for matrix isolation spectroscopy, and it is at the basis of a recently proposed detector of cosmological axions, exploiting magnetic-type transitions between Zeeman sublevels of alkali atoms in a magnetic field, tuned to the axion mass, assumed in the meV range. Axions are one of the supposed constituents of the dark matter (DM) of t…