Related papers: Linear response separation of a solid into atomic …

The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…

Boosting the sensitivity of solid-state gas sensors by incorporating nanostructured materials as the active sensing element can be complicated by interfacial effects. Interfaces at nanoparticles, grains, or contacts may result in non-linear…

The Landau Fermi-liquid and extended Gutzwiller periodic-orbit theories are presented for the semiclassical description of collective excitations in nuclei, which are close to main topics of the fruitful activity of S.T. Belyaev. Static…

The frequency-dependent linear response of a plasma is studied in the finite-temperature Thomas-Fermi approximation, with electron dynamics described using Bloch hydrodynamics. The variational framework of average-atoms in a plasma is used.…

Equilibrium atomic configurations and electron energy structure of ethanol adsorbed on the Si (111) surface are studied by the first-principles density functional theory. Geometry optimization is performed by the total energy minimization…

In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and…

We derive a closed equation of motion for the current density of an inhomogeneous quantum many-body system under the assumption that the time-dependent wave function can be described as a geometric deformation of the ground-state wave…

On the basis of the pseudopotential plane-wave(PP-PW) method in combination with the local-density-functional theory(LDFT), complete stress-strain curves for the uniaxial loading and uniaxial deformation along the [001] and [111]…

In solids, quanta of atomic vibrations are identified in reciprocal space by their frequency and wavevector as phonons. At the opposite end of the matter spectrum, dynamics of dilute gases is conventionally described in terms of atomic or…

In this work, the calculation of complexity on atomic systems is considered. In order to unveil the increasing of this statistical magnitude with the atomic number due to the relativistic effects, recently reported in [A. Borgoo, F. De…

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…

A simultaneous calculation for the shape evolution and the related spectroscopic properties of the low-lying states, and the $\beta$-decay properties in the even- and odd-mass Ge and As nuclei in the mass $A\approx70-80$ region, within the…

In this work, molecular mechanics simulations were performed using a modified embedded-atom method (MEAM) potential to generate the stress-strain responses of a series of n-alkane molecules from ethane (C$_2$H$_6$) to undecane…

We present a comparative assessment of the features of inelastic atom-surface scattering spectra that are produced by several different forms of linear and nonlinear phonon coupling to the projectile atom. Starting from a simple theoretical…

We applied a method of symmetry reduction to the gas dynamics equations with a special form of the equation of state. This equation of state is a pressure represented as the sum of a density and an entropy functions. The symmetry Lie…

We develop a theoretical framework for the diffusion of a single unconstrained species of atoms on a crystal lattice that provides a generalization of the classical theories of atomic diffusion and diffusion-induced phase separation to…

We analyze the simplest problem of electrochemical relaxation in more than one dimension - the response of an uncharged, ideally polarizable metallic sphere (or cylinder) in a symmetric, binary electrolyte to a uniform electric field. In…

There has been a surge of experimental effort recently in cooling trapped fermionic atoms to quantum degeneracy. By varying an external magnetic field, interactions between atoms can be made arbitrarily strong. When the S wave scattering…

We provide an introduction to the experimental physics of quantum gases. At the low densities of ultracold quantum gases, confinement can be understood from single-particle physics, and interactions can be understood from two-body physics.…

We develop a linear response theory to provide a unified description of two recent spectroscopy protocols for probing one-dimensional supersolid states realized in cold-atom systems. Both protocols involve applying a periodic optical…