Related papers: Electronic Structure of First and Second Row Atoms…
We implement molecular dynamics simulations in canonical ensemble to study the effect of confinement on a $2d$ crystal of point particles interacting with an inverse power law potential proportional to $r^{-12}$ in a narrow channel. This…
We recast the problem of hydrogel swelling under physical constraints as an energy optimization problem. We apply this approach to compute equilibrium shapes of hydrogel spheres confined within a jammed matrix of rigid beads, and interpret…
In this work, we investigate the influence of torsion, Aharonov-Bohm flux, and external magnetic fields on the linear and nonlinear optical properties of a confined quantum system. The confinement potential is not assumed a priori, but…
We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis…
Direct analytical and numerical calculation show that two-electron atomic configuration can be unstable with respect to a static or dynamic shift of the electron shells. This enables to develop a so called non-rigid shell model for a…
Single layer core/shell structures consisting of graphene as core and hexagonal boron nitride as shell are studied using first-principles plane wave method within density functional theory. Electronic energy level structure is analysed as a…
The effect of interfaces and confinement in polymer ferroelectric structured is discussed. Results on confinement under different geometries are presented and the comparison of all of them allows to evidence that the presence of an…
In this paper we consider a system of two two-level atoms interacting with a single-mode quantized electromagnetic field in a lossless resonant cavity via $l$-photon-transition mechanism. The field and the atoms are initially prepared in…
The transition into a strongly-correlated regime of 3 fermions trapped in a one-dimensional harmonic potential is investigated. This interesting, but little-studied system, allows us to identify characteristic features of the regime, some…
Few-electron systems confined in a quantum dot laterally coupled to a surrounding quantum ring in the presence of an external magnetic field are studied by exact diagonalization. The distribution of electrons between the dot and the ring is…
A tight binding supercell approach is used for the calculation of the electronic structure of the (111) LaAlO$_3$/SrTiO$_3$ interface. The confinement potential at the interface is evaluated solving a discrete Poisson equation by means of…
We explore the effects of correlation on the ground-state energies and on photoionization dynamics in atomic Be and Ne. We apply the time-dependent restricted-active-space self-consistent-field method for several excitation schemes and…
The effect of spontaneous breaking of initial SO(3) symmetry is shown to be possible for an H-like atom in the ground state, when it is confined in a spherical box under general boundary conditions of "not going out" through the box surface…
Plasma shock waves widely exist and play an important role in high-energy-density environment, especially in the inertial confinement fusion. Due to the large gradient of macroscopic physical quantities and the coupled thermal, electrical,…
Ru$_3$Sn$_7$, an intermetallic compound with advanced catalytic properties, exhibits a complex crystal structure and intriguing electronic properties, making it an attractive candidate for investigations under high-pressure (HP). The…
We consider a statistical mechanical model of a generic flexible polyelectrolyte, comprised of identically charged monomers with long range electrostatic interactions, and short-range interactions quantified by a disorder field along the…
Structure and dynamics of a polymer under confinement gets significantly altered due to the imposed geometric restrictions. Using molecular dynamics simulations, here, we explore the effect of cylindrical confinement on the kinetics of…
Effects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy (TaNb)$_{0.67}$(HfZrTi)$_{0.33}$ are studied in the pressure range 0 - 100 GPa. The electronic structure is…
A heavy-fermion paramagnet UTe$_2$ has been a strong candidate for a spin-triplet superconductor. Experiments on UTe$_2$ under pressure have been vigorously conducted, and rich phase diagrams have been suggested. Multiple superconducting…
We study the limitations to the relative number squeezing between photons and atoms coupled out from a homogeneous Bose-Einstein-Condensate. We consider the coupling between the translational atomic states by two photon Bragg processes,…