Related papers: A First Principles Study Of Cu Clusters
Energy levels and electromagnetic properties of with $N=28\sim 30$ nuclides are studied in terms of a large-scale shell model calculation, which contains no newly adjusted parameters. The Kuo-Brown $G$-matrix interaction is shown to…
We have performed full-relativistic density functional theory calculations to study the geometry and binding energy of different isomers of free platinum clusters Pt$_{n}$ ($n=4-6$) within the spin multiplicities from singlet to nonet. The…
Quantum chromodynamics (QCD) is the theory of strong interactions of quarks and gluons collectively called partons, the basic constituents of all nuclear matter. Its non-abelian character manifests in nature in the form of two remarkable…
Using first-principles density functional calculations, we have studied the structural stability of stoichiometric as well as non-stoichiometric CdS nanoclusters at ambient pressure with diameters ranging up to about 2.5 nm. Our study…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
For over 50 years attempts have been made to explain the properties of nuclear matter in terms of constituent nucleons with very little success. Here we will investigate one class of many possible models, string-flip potential models, in…
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local…
We examine the L\"uscher quantization condition to high order for the scattering of a spinless particle and a spin-1/2 particle in a periodic box. First, we derive the quantization conditions in a non-relativistic framework up to total…
We investigate the dynamics of a strong first-order quark-hadron transition driven by cubic interaction via homogeneous bubble nucleation in the Friedberg-Lee model. The one-loop effective thermodynamics potential of the model and the…
By starting with a seed Newtonian potential-density pair we construct relativistic thick spherical shell models for a Majumdar-Papapetrou type conformastatic spacetime. As a simple example, we consider a family of Plummer-Hernquist type…
It is demonstrated that the magnetic interactions can be drastically different for nano-sized systems compared to those of bulk or surfaces. Using a real-space formalism we have developed a method to calculate non-collinear magnetization…
Compositional effects in NaK alloy clusters have been studied using bond order length strength notation and density functional theory calculations. The results reveal binding energy shifts of the NaK alloy clusters under different elemental…
We use coupled-cluster quantum chemical methods to calculate the energetics of molecular clusters cut out of periodic molecular hydrogen structures that model observed phases of solid hydrogen. The hydrogen structures are obtained from…
In order to study the fragmentation of massive dense cores, which constitute the cluster cradles, we observed with the PdBI in the most extended configuration the continuum at 1.3 mm and the CO(2-1) emission of four massive cores. We detect…
The equilibrium properties of isolated ring molecules were investigated using an off-lattice model with no excluded volume but with dynamics that preserve the topological class. Using an efficient set of long range moves, chains of more…
Quantum manipulation of molecular radical spins provides a crucial platform for exploring emergent phenomena in many-body systems. Here, we combine surface-confined synthesis with scanning tunneling microscopy(STM)tip-induced…
We present a detailed investigation of static dipole polarizability of lithium clusters containing up to 22 atoms. We first build a database of lithium clusters by optimizing several candidate structures for the ground state geometry for…
Jellium model achieved great success in predicting stable clusters with closed electronic shells and zero spin. In order to explain the stability of open shell clusters, it is necessary to consider the case of non-degenerate energy levels.…
How thousands of microtubules and molecular motors self-organize into spindles remains poorly understood. By combining static, nanometer-resolution, large-scale electron tomography reconstructions and dynamic, optical-resolution, polarized…
Equilibrium relationships involving solids are based on bulk thermodynamic properties that concern ideal crystals of infinite size. However, real processes towards equilibrium imply development of finite molecular-scale entities. The…