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The complex nature of electron-electron correlations is made manifest in the very simple but non-trivial problem of two electrons confined within a sphere. The description of highly non-local correlation and self-interaction effects by…

Other Condensed Matter · Physics 2016-08-16 J. Jung , P. García-González , J. E. Alvarellos , R. W. Godby

An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel…

Strongly Correlated Electrons · Physics 2007-05-23 Xiangang Wan , Quan Yin , Sergej Y. Savrasov

The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…

Strongly Correlated Electrons · Physics 2009-02-25 S. Pittalis , E. Rasanen , C. Proetto , E. K. U. Gross

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 relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero…

Materials Science · Physics 2009-11-13 S. Sharma , S. Pittalis , S. Kurth , S. Shallcross , J. K. Dewhurst , E. K. U. Gross

The electron-electron correlations in a many-electron (Ne = 1, 2,..., 5) quantum dot confined by a parabolic potential is investigated in the presence of a single magnetic ion and a perpendicular magnetic field. We obtained the energy…

Strongly Correlated Electrons · Physics 2008-11-19 Nga T. T. Nguyen , F. M. Peeters

In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…

Strongly Correlated Electrons · Physics 2010-10-29 S. Pittalis , E. Rasanen

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

The energy levels of two interacting electrons in a 2D quantum dot confined by a finite Gaussian potential and subjected to a uniform magnetic field perpendicular to the plane of the dot are studied. Analytic results are obtained for the…

Mesoscale and Nanoscale Physics · Physics 2021-06-25 S. Chaudhuri

We address the issue of accurately treating interaction effects in the mesoscopic regime by investigating the ground state properties of isolated irregular quantum dots. Quantum Monte Carlo techniques are used to calculate the distributions…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Amit Ghosal , C. J. Umrigar , Hong Jiang , Denis Ullmo , Harold U. Baranger

The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is a functional of the spin-resolved charge and current densities, $E_x[n_{\uparrow},n_{\downarrow},j_{\uparrow},j_{\downarrow}]$. Within the…

Materials Science · Physics 2015-05-13 J. M. Morbec , K. Capelle

We apply quantum electrodynamical density functional theory to obtain the electronic density, the spin polarization, as well as the orbital and the spin magnetization of square periodic arrays of quantum dots or antidots subjected to the…

Mesoscale and Nanoscale Physics · Physics 2023-06-13 Vram Mughnetsyan , Vidar Gudmundsson , Nzar Rauf Abdullah , Chi-Shung Tang , Valeriu Moldoveanu , Andrei Manolescu

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

The effects of spin-orbit coupling on the two-electron spectra in lateral coupled quantum dots are investigated analytically and numerically. It is demonstrated that in the absence of magnetic field the exchange interaction is practically…

Mesoscale and Nanoscale Physics · Physics 2010-04-12 Fabio Baruffa , Peter Stano , Jaroslav Fabian

A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation.…

Strongly Correlated Electrons · Physics 2009-11-07 M. I. Katsnelson , V. P. Antropov

Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and…

Chemical Physics · Physics 2022-04-06 Timothy Callow , Benjamin Pearce , Nikitas Gidopoulos

The electron and hole states in a CdTe quantum dot containing a single magnetic impurity in an external magnetic field are investigated, using the multiband approximation which includes the heavy hole-light hole coupling effects. The…

Mesoscale and Nanoscale Physics · Physics 2010-08-10 Aram Manaselyan , Tapash Chakraborty

Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…

Chemical Physics · Physics 2024-11-05 Alon Hayman , Eli Kraisler , Tamar Stein

Quantum rings can be characterized by a specific radius and ring width. For this rich class of physical systems, an accurate approximation for the exchange-hole potential and thus for the exchange energy is derived from first principles.…

Strongly Correlated Electrons · Physics 2009-02-04 E. Rasanen , S. Pittalis , C. R. Proetto , E. K. U. Gross

The ground states of few electrons confined in two vertically coupled quantum rings in the presence of an external magnetic field are studied systematically within the current spin-density functional theory. Electron-electron interactions…

Mesoscale and Nanoscale Physics · Physics 2009-10-05 L. K. Castelano , G. -Q. Hai , B. Partoens , F. M. Peeters