Related papers: Global Minima for Transition Metal Clusters Descri…
The Ionization Potentials of small Li_N clusters are calculated with a Shell Correction Method. They are used to illustrate that, within the jellium approximation, deformed cluster shapes provide an adequate description of the observed…
Thermal stability properties and the melting-like transition of Na_n, n=13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta…
An algorithm for Monte Carlo simulations is proposed in which the parameter controlling the strength of the transition becomes a dynamical variable and in which efficient transitions are achieved by cluster steps. It allows to avoid the…
Packing transitions in the lowest energy structures of Li clusters as a function of size have been identified via simulated annealing. For N>21, the large $p$ character of Li leads to unexpected ionic structures. At N~25, a packing pattern…
We argue that ferromagnetic transition metal nanoparticles with fewer than approximately 100 atoms can be described by an effective Hamiltonian with a single giant spin degree of freedom. The total spin $S$ of the effective Hamiltonian is…
This article takes a broad view of the understanding of magnetic bistability and magnetic quantum tunneling in single-molecule magnets (SMMs), focusing on three families of relatively simple, low-nuclearity transition metal clusters: spin S…
A continuous time cluster algorithm for two-level systems coupled to a dissipative bosonic bath is presented and applied to the sub-ohmic spin-Boson model. When the power s of the spectral function J(w) \propto w^s is smaller than 1/2, the…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
Most observations of the projected half-light radii of metal-rich globular clusters in a variety of galaxies have shown them to be ~20% smaller than those of their metal-poor counterparts. We show using multi-mass isotropic Michie-King…
We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and correlation to study the interactions in the bare and hydrogenated platinum clusters.…
We study minimum energy configurations of $N$ particles in $\R^3$ of charge -1 (`electrons') in the potential of $M$ particles of charges $Z_\alpha>0$ (`atomic nuclei'). In a suitable large-N limit, we determine the asymptotic electron…
The catastrophe theory is applied to a nuclear cluster model and an effective model for QCD at low energy. The study of quantum phase transitions in the cluster model was considered in an earlier publication, but restricted to spherical…
Context Mixed-metal clusters have long been studied because of their peculiar properties and how they change with cluster size, composition and charge state and their potential roles in catalysis. The characterization of these clusters is…
The cluster decay process in $^{270-318}$118 superheavy nuclei has been studied extensively within the Coulomb and proximity potential model (CPPM), thereby investigating the probable cluster decays from the various isotopes of $Z = 118$.…
A muonium hydride molecule is a bound state of muonium and hydrogen atoms. It has half the mass of a parahydrogen molecule and very similar electronic properties in its ground state. The phase diagram of an assembly of such particles is…
An accurate description of low-density nuclear matter is crucial for explaining the physics of neutron star crusts. In the density range between approximately 0.01 fm$^{-3}$ and 0.1 fm$^{-3}$, matter transitions from neutron-rich nuclei to…
We introduce a notion of pure-minimality for chain complexes of modules and show that it coincides with (homotopic) minimality in standard settings, while being a more useful notion for complexes of flat modules. As applications, we…
Adding gauge singlets to the original Standard Model allows an explanation for the observed smallness of the neutrino masses using the seesaw mechanism. Following our plans presented in the last conference of this series we present the…
Ground state diffusion Monte Carlo is used to investigate the binding energies and carrier probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition metal dichalcogenide materials. We compare…
In quantum Shannon theory, various kinds of quantum entropies are used to characterize the capacities of noisy physical systems. Among them, min-entropy and its smooth version attract wide interest especially in the field of quantum…