Related papers: Testing of two-dimensional local approximations in…
The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio…
Monte-Carlo simulations and ground-state calculations have been used to map out the phase diagram of a system of classical spins, on a simple cubic lattice, where nearest-neighbor pairs of spins are coupled via competing antiferromagnetic…
Solid state quantum computing proposals rely on adiabatic operations of the exchange gate among localized spins in nanostructures. We study corrections to the Heisenberg interaction between lateral semiconductor quantum dots in an external…
We present the current-density functional theory for the superconductor immersed in the magnetic field. The order parameter of the superconducting state, transverse component of the paramagnetic current-density, and electron density are…
We calculate the nonequilibrium dynamic evolution of a one-dimensional system of two-component fermionic atoms after a strong local quench by using a time-dependent spin-density-functional theory. The interaction quench is also considered…
The relationship between the exact kinetic energy density in a quantum system in the frame of Density Functional Theory and the semiclassical functional expression for the same quantity is investigated. The analysis is performed with Monte…
Time-dependent density functional theory continues to draw a large number of users in a wide range of fields exploring myriad applications involving electronic spectra and dynamics. Although in principle exact, the predictivity of the…
We present a formalism for strongly correlated electrons systems which consists in a local approximation of the dynamical three-leg interaction vertex. This vertex is self-consistently computed with a quantum impurity model with dynamical…
We investigate coherent transport through open lateral quantum dots using recursive Green's function technique, incorporating exchange-correlation effects within local spin-density approximation (LSDA). At low electron densities the current…
Using density functional theory, we investigate fluctuations of the ground state energy of spin-polarized, disordered quantum dots in the metallic regime. To compare to experiment, we evaluate the distribution of addition energies and find…
We present an extensive comparative study of ground-state densities and pair distribution functions for electrons confined in two-dimensional parabolic quantum dots over a broad range of coupling strength and electron number. We first use…
The paper proposes the method to analyze the internal dynamics of nanoscopic systems by periodic modulation of the electrochemical potentials of the attached leads and measuring the time-averaged current. The idea is presented using the…
Usually, density functional models are considered approximations to density functional theory, However, there is no systematic connection between the two, and this can make us doubt about a linkage. This attitude can be further enforced by…
Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate…
Understanding the dynamics of magnetic vortices has emerged as an important challenge regarding the recent development of spin-torque vortex oscillators. Either micromagnetic simulations or the analytical Thiele equation approach are…
It is shown that the DFT exchange and correlation functionals satisfy an expression that couples exchange and correlation functionals and functional derivatives evaluated at three different densities and for two particle numbers. This…
We have developed new methods to calculate dispersion curves (analytically in the simpler cases) from which we are able to derive the spatial distribution of electron and current densities. We investigate the case where the magnetic field…
Dynamical correlations of various local operators are studied in the spin-half two-channel Kondo (2CK) model in the presence of channel anisotropy or external magnetic field. A conformal field theory-based scaling approach is used to…
We study the equilibrium and nonequilibrium electronic transport properties of multiprobe topological systems using a combination of the Landauer-B\"uttiker approach and nonequilibrium Green's functions techniques. We obtain general…
A composite multiferroic chain with an interfacial linear magneto-electric coupling is used to study the magnetic and electric responses to an external magnetic or electric field. The simulation uses continuous spin dynamics through the…