Related papers: Global Minima for Transition Metal Clusters Descri…
We generalized the recently introduced new impurity solver based on the diagrammatic expansion around the atomic limit and Quantum Monte Carlo summation of the diagrams. We present generalization to the cluster of impurities, which is at…
We consider the minimal 3-3-1 model with a heavy scalar sextet and realize, at the tree level, an effective dimension-five interaction that contributes to the mass of the charged leptons. In this case the charged leptons masses arise from a…
Relaxation phenomena in glasses can be related to jump processes between different minima of the potential energy in the configuration space. These transitions play a key role in the low temperature regime, giving rise to tunneling systems…
We introduce the depth parameters of a finite semigroup, which measure how hard it is to produce an element in the minimum ideal when we consider generating sets satisfying some minimality conditions. We estimate such parameters for some…
We propose the generalization of a known established empirically (Wahl W. and Wucher A. Nucl. Instrum. Meth. B 94, 36(1994)) power law, describing relative mass-spectra of neutral sputtered clusters, on the cases of arbitrary cluster…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
In the first paper in this series, we proposed a new framework in which to model the chemical evolution of globular clusters. This model, is predicated upon the assumption that clusters form within an interstellar medium enriched locally by…
We extend the newly proposed probability-changing cluster (PCC) Monte Carlo algorithm to the study of systems with the vector order parameter. Wolff's idea of the embedded cluster formalism is used for assigning clusters. The…
In this paper, we prove sharpness of the phase transition for the random-cluster model in summable positive external fields, with cluster weight q=2,3,..., on the hypercubic lattice. That is, there exists some nontrivial critical parameter…
Low-temperature scanning tunneling spectroscopy allows to probe the electronic properties of clusters at surfaces with unprecedented accuracy. By means of quantum transport theory, using realistic tunneling tips, we obtain conductance…
We introduce a computational method for global optimization of structure and ordering in atomic systems. The method relies on interpolation between chemical elements, which is incorporated in a machine learning structural fingerprint. The…
The recent experimental results on neutrino oscillation and on muonium-antimuonium conversion require extension of the minimal 3-3-1 model. We review the constraints imposed to the model by those measurements and suggest a pattern of…
We improve the upper bounds (in terms of $n$) in [9] and [13] on the minimal number of elements required to generate a minimally transitive permutation group of degree $n$.
Local constraint is closely related to the gauge field, so constrained models are usually effective low energy descriptions and important in condensed matter physics. On the other hand, local restriction hinders the application of numerical…
Highly size-asymmetrical fluid mixtures arise in a variety of physical contexts, notably in suspensions of colloidal particles to which much smaller particles have been added in the form of polymers or nanoparticles. Conventional schemes…
The shell model Monte Carlo (SMMC) approach provides a powerful method for the microscopic calculation of statistical and collective nuclear properties in model spaces that are many orders of magnitude larger than those that can be treated…
We calculate potential curves for transition metal dimers using Monte Carlo configuration interaction (MCCI). These results, and their associated spectroscopic values, are compared with experimental and computational studies. The…
We have investigated the lowest-energy structures and electronic properties of the Au$_n$(n=2-20) clusters based on density functional theory (DFT) with local density approximation. The small Au$_n$ clusters adopt planar structures up to…
The dependency of the melting point of supported metal nanoclusters as function of clusters height is theoretically investigated in the framework of the uniform approach. The vacancy mechanism describing the melting point shift in…
Low-energy structures are found on the potential energy surfaces of the neutral, cationic, and anionic gold clusters Au_{5 \leq n \leq 8}^Z (Z = 0, \pm) and on the neutral potential energy surface of Au_9. These structures provide insights…