相关论文: Density-functional theory study of ionic inhomogen…
This study investigates the structural stability of ionized gold clusters of sizes ranging from 22 to 100 atoms, contrasting compact, cage and planar structures. While it is well known that neutral clusters in the upper part of this size…
The theme of this contribution is the idea that the metals in the intracluster medium (ICM) may be inhomogeneously distributed on small scales. We focus on the possible interplay between this and the cooling flow process. We begin with a…
The screening of a 2p core-hole in Na clusters is investigated using density functional theory applied to an extended jellium model with an all-electron atom in the center. The study is related to recent experiments at the free electron…
Within the framework of a functional integral formalism incorporating ionic charge and hard-core (HC) interactions on an equal footing, we formulate a unified theory of equilibrium thermodynamics and ion association in charged solutions.…
We determined the ionic and electronic structure of sodium clusters with even electron numbers and 2 to 59 atoms in axially averaged and three-dimensional density functional calculations. A local, phenomenological pseudopotential that…
Hydrodynamical SPH simulations of galaxy clusters are used to investigate the metal enrichment of the intracluster medium. The final metallicity abundances of the simulated clusters are determined according to the numerical resolution and a…
Using first-principles density functional theory based calculations, we analyze the structural stability of small clusters of 3$d$ late transition metals. We consider the relative stability of the two structures - layer-like structure with…
The isothermal compressibility of a general crystal is analyzed within classical density functional theory. Our approach can be used for homogeneous and unstrained crystals containing an arbitrarily high density of local defects. We start…
Recent DFT (density functional theory) simulations showed that metals have a hitherto overlooked symmetry termed "hidden scale invariance" [Hummel {\em et al.}, Phys. Rev. B {\bf{92}}, 174116 (2015)]. According to isomorph theory, this…
The distinctions in the mass spectra of large sodium (Na_N) and aluminum (Al_N) clusters are discussed. A semiclassical method is used to describe the shell effects within a spherical jellium model. It allows one to analyze the relative…
We introduce a renormalized Jellium model to calculate the equation of state for charged colloidal suspensions. An almost perfect agreement with Monte Carlo simulations is found. Our self-consistent approach naturally allows to define the…
We present an extended version of a recently proposed semi-holographic model for heavy-ion collisions, which includes self-consistent couplings between the Yang-Mills fields of the Color Glass Condensate framework and an infrared AdS/CFT…
Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238…
An analytical model for the postcollapse equilibrium structure of virialized objects which condense out of the cosmological background universe is described and compared with observations and simulations of cosmological halos. The model is…
Recent claims of observational evidence for self-interacting dark matter (SIDM) have relied on a semi-analytic method for predicting the density profiles of galaxies and galaxy clusters containing SIDM. We present a thorough description of…
We present a density-functional (DF) study of structures of Si cage clusters that encapsulate metal atoms. As a prototypical example, the case of WSi$_{n}$ clusters is shown. To obtain the low-energy clusters in efficient and unbiased ways,…
Ionic microgel particles in a good solvent swell to an equilibrium size determined by a balance of electrostatic and elastic forces. When crowded, ionic microgels deswell owing to a redistribution of microions inside and outside the…
We study the clustering properties of metals in the intergalactic medium (IGM) as traced by 619 CIV, 81 SiIV, N >= 10^12 cm^-2 and 316 MgII, and 82 FeII N >= 10^11.5 cm^-2 absorption components in 19 high signal-to-noise (60-100 per pixel),…
Ab initio Perturbed Ion (PI) calculations are reported for neutral stoichiometric (MgO)n clusters (n<14). An extensive number of isomer structures was identified and studied. For the isomers of (MgO)n (n<8) clusters, a full geometrical…
In an attempt to reconcile recent spectral data with predictions of the standard cooling flow model, it has been suggested that the metals in the intracluster medium (ICM) might be distributed inhomogeneously on small scales. We investigate…