English
Related papers

Related papers: Exchange-correlation vector potentials and vortici…

200 papers

In this paper we present a new approach how to extract polarization-dependent exchange-correlation energy densities for two-dimensional systems from reference densities and energies of quantum dots provided by exact diagonalization.…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Andreas Wensauer , Ulrich Rössler

We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…

Strongly Correlated Electrons · Physics 2010-06-30 E. Rasanen , S. Pittalis , J. G. Vilhena , M. A. L. Marques

Current-density-functional theory is used to perturbatively calculate single-particle energies of open-shell atoms prepared in a current-carrying state. We focus on the highest occupied such energy, because its negative is, in principle,…

Chemical Physics · Physics 2015-06-26 E. Orestes , A. B. F. da Silva , K. Capelle

We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…

Mesoscale and Nanoscale Physics · Physics 2012-05-30 Ilja Makkonen , Mikko M. Ervasti , Ville Kauppila , Ari Harju

We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a simple density-functional form. This form allows an explicit…

Strongly Correlated Electrons · Physics 2010-02-25 E. Rasanen , S. Pittalis , C. R. Proetto , K. Capelle

We propose a systematic and constructive way to determine the exchange-correlation potentials of density-functional theories including vector potentials. The approach does not rely on energy or action functionals. Instead it is based on…

We study a model quantum dot system in an external magnetic field by using both the spin-density-functional theory and the current-spin-density-functional theory. The theories are used with local approximations for the spin-density and the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 H. Saarikoski , E. Räsänen , S. Siljamäki , A. Harju , M. J. Puska , R. M. Nieminen

Coupled elliptic quantum dots with different aspect ratios containing up to two electrons are studied using a model confinement potential in the presence of magnetic fields. Single and two particle Schroedinger equations are solved using…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 L. -X. Zhang , D. V. Melnikov , J. -P. Leburton

By reverse-engineering from exact solutions we obtain Hartree-exchange-correlation (Hxc) potentials for a double quantum dot subject to generic density-density interactions and Hund's rule coupling. We find ubiquitous step structures of the…

Mesoscale and Nanoscale Physics · Physics 2020-08-10 Nahual Sobrino , Stefan Kurth , David Jacob

We present the results of a variational Monte Carlo calculation of the exchange-correlation energy for a spin-polarized two-dimensional electron gas in a perpendicular magnetic field. These energies are a necessary input to the recently…

Condensed Matter · Physics 2009-10-28 Rodney Price , S. Das Sarma

The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a…

Materials Science · Physics 2011-01-14 N. Helbig , S. Kurth , S. Pittalis , E. Räsänen , E. K. U. Gross

We calculate the exact Kohn-Sham (KS) scalar and vector potentials that reproduce, within current-density functional theory, the steady-state density and current density corresponding to an electron quasiparticle added to the ground state…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 J. D. Ramsden , R. W. Godby

We propose exchanging the energy functionals in ground-state DFT with physically equivalent exact force expressions as a new promising route towards approximations to the exchange-correlation potential and energy. In analogy to the usual…

We obtain an exact solution of the time-dependent Schroedinger equation for a two-electron system confined to a plane by an isotropic parabolic potential whose curvature is periodically modulated in time. From this solution we compute the…

Condensed Matter · Physics 2009-10-31 Irene D'Amico , Giovanni Vignale

We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…

Strongly Correlated Electrons · Physics 2010-02-25 E. Rasanen , S. Pittalis

We discuss the exchange-correlation energy of a multicomponent (multi-valley) two-dimensional electron gas and show that an extension of the recent parametrisation of the exchange-correlation energy by Attacalite et al (Phys. Rev. Lett. 88,…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 K. Karkkainen , M. Koskinen , S. M. Reimann , M. Manninen

The quantum hydrodynamic theory is a promising method for describing microscopic details of macroscopic systems. The hydrodynamic equation can be directly obtained from a single particle Kohn-Sham equation that includes the contribution of…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 Cristian Ciracì

Vignale and Kohn have recently formulated a local density approximation to the time-dependent linear response of an inhomogeneous electron system in terms of a vector potential for exchange and correlation. The vector potential depends on…

Statistical Mechanics · Physics 2007-05-23 M. P. Tosi , M. L. Chiofalo , A. Minguzzi , R. Nifosi`

The dynamical, long-wavelength longitudinal and transverse exchange-correlation potentials for a homogeneous electron gas are evaluated in a microscopic model based on an approximate decoupling of the equation of motion for the…

Condensed Matter · Physics 2009-10-30 S. Conti , R. Nifosi' , M P Tosi

The charge stability diagram for two coupled quantum dots containing up to two electrons is computed in magnetic fields. One- and two-particle Schroedinger equations are solved by exact diagonalization to obtain the chemical potentials and…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 L. -X. Zhang , D. V. Melnikov , J. -P. Leburton
‹ Prev 1 2 3 10 Next ›