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The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…

Strongly Correlated Electrons · Physics 2009-10-31 H. Eschrig , W. E. Pickett

We investigate the ground-state energy and spin of disordered quantum dots using spin-density-functional theory. Fluctuations of addition energies (Coulomb-blockade peak spacings) do not scale with average addition energy but remain…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Kenji Hirose , Ned S. Wingreen

The total energy of a quasi-one-dimensional electron system is calculated using density functional theory. It is shown that spontaneous ferromagnetic state in quantum wire occurs at low one-dimensional electron density. The critical…

Mesoscale and Nanoscale Physics · Physics 2013-01-14 A. A. Vasilchenko

We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…

Strongly Correlated Electrons · Physics 2015-05-13 Paola Gori-Giorgi , Michael Seidl , G. Vignale

We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spin-density approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of…

Materials Science · Physics 2009-11-07 K. Capelle , B. L. Gyorffy

We address low-density two-dimensional circular quantum dots with spin-restricted Kohn-Sham density functional theory. By using an exchange-correlation functional that encodes the effects of the strongly-correlated regime (and that becomes…

Strongly Correlated Electrons · Physics 2014-03-17 Christian B. Mendl , Francesc Malet , Paola Gori-Giorgi

The response of an infinite, periodic, insulating, solid to an infinitesimally small electric field is investigated in the framework of Density Functional Theory. We find that the applied perturbing potential is not a unique functional of…

mtrl-th · Physics 2016-09-07 X. Gonze , Ph. Ghosez , R. W. Godby , .

We use spin-density-functional theory to study the spacing between conductance peaks and the ground-state spin of 2D model quantum dots with up to 200 electrons. Distributions for different ranges of electron number are obtained in both…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hong Jiang , Harold U. Baranger , Weitao Yang

We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…

Condensed Matter · Physics 2009-10-28 O. Heinonen , M. I. Lubin , M. D. Johnson

We investigate the properties of many-electron systems in two-dimensional polygonal (triangle, square, pentagon, hexagon) potential wells by using the density functional theory. The development of the ground state electronic structure as a…

Strongly Correlated Electrons · Physics 2009-11-07 E. Rasanen , H. Saarikoski , M. J. Puska , R. M. Nieminen

The energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defined atomic energies. The method involves…

Materials Science · Physics 2026-04-27 Yang Dan , Dallas R. Trinkle

We present a study of ground state energies and densities of quantum dots in a magnetic field, which takes into account correlation effects through the Current-density functional theory (CDFT). The method is first tested against exact…

Condensed Matter · Physics 2009-10-22 M. Ferconi , G. Vignale

Density-functional theory is used to study the electronic structure of quantum dots in a magnetic field. New series of magic numbers are found for the total angular momentum of electrons. The empirical formula for the plateau width is…

Mesoscale and Nanoscale Physics · Physics 2022-09-13 A. A. Vasilchenko

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…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. Gattobigio , P. Capuzzi , M. Polini , R. Asgari , M. P. Tosi

Within Current Density Functional Theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (B) that can be…

Condensed Matter · Physics 2009-10-30 Marti Pi , Manuel Barranco , Agusti Emperador , Enrico Lipparini , Llorens Serra

We use density-functional methods to study the effects of an external magnetic field on two-dimensional quantum dots with a rectangular hard-wall confining potential. The increasing magnetic field leads to spin polarization and formation of…

Strongly Correlated Electrons · Physics 2009-11-10 E. Räsänen , A. Harju , M. J. Puska , R. M. Nieminen

We investigate an extension of excited state mean-field theory in which the energy expression is augmented with density functional components in an effort to include the effects of weak electron correlations. The approach remains…

Chemical Physics · Physics 2020-02-05 Luning Zhao , Eric Neuscamman

We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…

Chemical Physics · Physics 2018-02-20 Hideaki Takahashi

Based on our derivation of finite temperature reduced density matrix functional theory and the discussion of the performance of its first-order functional this work presents several different correlation-energy functionals and applies them…

Other Condensed Matter · Physics 2012-08-24 Tim Baldsiefen , E. K. U. Gross

The density functional theory is used to study the electronic structure of a quantum wire in a magnetic field. The Kohn-Sham equations are solved numerically for different values of electron densities and filling factors. The critical…

Mesoscale and Nanoscale Physics · Physics 2023-06-16 A. A. Vasilchenko
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