相关论文: Vortex formation in quantum dots in high magnetic …

We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…

We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional Density Functional Theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we…

A two-dimensional model of an electron moving under the influence of an attractive zero-range potential as well as external magnetic and electric fields is analyzed. We prove by numerical investigations that there are formed such resonances…

We have carried out a systematic analysis of the transverse dipole spin response of a large size quantum dot within time-dependent current density functional theory. Results for magnetic fields corresponding to integer filling factors are…

It is shown that in a magnetic field quantized vortices in a superfluid obtain a real quantized electric charge concentrated in the vortex core. This charge is compensated by an opposite surface charge located at a macroscopic distance from…

We present time-dependent density functional theory (TDDFT) calculations of fluorescence emission energies for 284 distinct graphene quantum dots (GQDs) of varying shapes (square, hexagonal, and amorphous) and sizes ($\sim$1-2 nm). These…

The density functional theory (DFT) is a remarkably successful theory of electronic structure of matter. At the foundation of this theory lies the Kohn-Sham (KS) equation. In this paper, we describe the long-time behaviour of the…

The problem of interacting electrons moving under the influence of a strong magnetic field in two dimensions on a finite disk is reconsidered. First, the results of exact diagonalizations for up to $N=9$ electrons for Coulomb as well as for…

Considering the increasing number of experimental results in the manufacturing process of quantum dots with different geometries, and the fact that most numerical methods that can be used to investigate quantum dots with non-trivial…

We predict that Lee-Huang-Yang effect makes it possible to create stable quantum droplets (QDs) in binary Bose-Einstein condensates with a hetero-symmetric or hetero-multipole structure, i.e., different vorticities or multipolarities in…

Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…

Quantized vortices are the prototypical feature of superfluidity. Pervasive in all natural systems, vortices are yet to be observed in dipolar quantum gases. Here, we exploit the anisotropic nature of the dipole-dipole interaction of a…

Quantum droplets (QDs) are self-trapped modes stabilized by the Lee-Huang-Yang correction to the mean-field Hamiltonian of binary atomic Bose-Einstein condensates. The existence and stability of quiescent and rotating dipole-shaped and…

We introduce 'single-particle-exact density functional theory' (1pEx-DFT), a novel density functional approach that represents all single-particle contributions to the energy with exact functionals. Here, we parameterize interaction energy…

The ground states of artificial molecules made of two vertically coupled quantum rings are studied within the spin density functional theory for systems containing up to 13 electrons. Quantum tunneling effects on the electronic structure of…

Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…

Density functional theory (DFT) is used to study vibrations, electrical dipole moments, and polarizabilities of NaF clusters. Because of prior experimental and theoretical studies, this is a good model system for tracking the evolution of…

Quantum computers open up new avenues for modelling the physical properties of materials and molecules. Density Functional Theory (DFT) is the gold standard classical algorithm for predicting these properties, but relies on approximations…

Variational excited-state density functional theory (DFT) enables the calculation of excited states at a cost comparable to ground-state calculations, but single-configuration approaches often suffer from spin contamination. We implement…

Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…