Related papers: Electronic shell structure of large metallic clust…
We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of \emph{trans}-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron in the…
Metallic nanoclusters displaying electronic shell structure exhibit the special feature of a correlation between their geometry and the number of delocalized electrons . Their shape evolution can be described as a quantum oscillation…
A static variational model for shape formation in heteroepitaxial crystal growth is considered. The energy functional takes into account surface energy, elastic misfit-energy and nucleation energy of dislocations. A scaling law for the…
The existence of macroscopic shell structure of submicron metal clusters is known for several decades. Since the most studies provide theoretical analysis for clusters of spherical shape, the electron density inhomogeneities caused by shell…
An analysis of the construction of a q-deformed version of the 3-dimensional harmonic oscillator, which is based on the application of q-deformed algebras, is presented. The results together with their applicability to the shell model are…
The energies and wave functions of stationary many-body states are analyzed to look for the signatures of quantum chaos. Shell model calculations with the Wildenthal interaction are performed in the $J-T$ scheme for 12 particles in the…
We consider helical configurations of a cholesteric liquid crystal (CLC) sandwiched between two substrates with homogeneous director orientation favored at both confining plates. We study the CLC twist wavenumber $q$ characterizing the…
Methods exhibiting linear scaling with respect to the size of the system, so called O(N) methods, are an essential tool for the calculation of the electronic structure of large systems containing many atoms. They are based on algorithms…
Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of silicon is investigated by molecular dynamics simulation with…
Shell structure of the single-particle spectrum for reflection-asymmetric deformed cavity is investigated. Remarkable shell structure emerges for certain combinations of quadrupole and octupole deformations. Semiclassical periodic-orbit…
Fragmentation can be observed in nature and in everyday life on a wide range of length scales and for all kinds of technical applications. Most studies on dynamic failure focus on the behaviour of bulk systems in one, two and three…
Coulomb charges confined by a harmonic potential display a rich structure at strong coupling, both classical and quantum. A simple density functional theory is reviewed showing the essential role of correlations in forming shell structure…
Understanding the formation of binary and multiple stellar systems largely comes down to studying the circumstances for the fragmentation of a condensing core during the first stages of the collapse. However, the probability of…
Herein, we numerically study the rheology of a two-dimensional frictional granular system confined by constant pressure under oscillatory shear. Several scaling laws for the storage and loss moduli against the scaled strain amplitude have…
Discontinuous changes in the electronic structure upon infinitesimal changes to the Hamiltonian are demonstrated. Remarkably, these are revealed in one and two electron molecular systems if the realm of the nuclear charge is extended to be…
Based on the conventional energy band theory, an approach is presented to describe the electronic structure of crystalline insulators in the presence of a finite homogeneous electric field. The expression of polarization is derived which…
The inelastic scattering of electrons on weakly-bound nuclei is studied with a simple model based on the long range behavior of the bound state wavefunction and on the effective-range expansion for the continuum wavefunctions. Three…
Previously reported formulation for electrons on curved periodic surfaces is used to analyze the band structure of an electron bound on the gyroid surface (the only triply-periodic minimal surface that has screw axes). We find that an…
We present a theoretical and experimental study of the fragmentation of closed thin shells made of a disordered brittle material. Experiments were performed on brown and white hen egg-shells under two different loading conditions: impact…
Shell structure of low-lying neutron resonant levels in axially-symmetric quadrupole-deformed potentials is discussed, which seems analogous to that of weakly-bound neutrons. As numerical examples, nuclei slightly outside the…