English
Related papers

Related papers: Construction of energy density functional for arbi…

200 papers

As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial density requires solving the interacting Schr\"odinger equation…

Chemical Physics · Physics 2014-07-14 Lucas O. Wagner , Thomas E. Baker , E. M. Stoudenmire , Kieron Burke , Steven R. White

Modifications of spin-splitting dispersion relations and density of states for electrons in non-symmetric heterostructures under in-plane magnetic field are studied within the envelope function formalism. Spin-orbit interactions, caused by…

Materials Science · Physics 2009-11-11 A. Hernandez-Cabrera , P. Aceituno , F. T. Vasko

In order to clarify the mechanism of spin polarization in potassium-loaded zeolite A, we perform {\em ab initio} density-functional calculations. We find that (i) the system comprising only non-magnetic elements (Al, Si, O and K) can indeed…

Strongly Correlated Electrons · Physics 2009-12-30 Yoshiro Nohara , Kazuma Nakamura , Ryotaro Arita

We present an analytic theory of the pair distribution function and the ground-state energy in a two-dimensional (2D) electron gas with an arbitrary degree of spin polarization. Our approach involves the solution of a zero-energy scattering…

Strongly Correlated Electrons · Physics 2009-11-10 R. Asgari , B. Davoudi , M. P. Tosi

The exchange and correlation $E_{xc}$ of strongly correlated electrons in 2D layers of finite width are studied as a function of the density parameter $r_s$, spin-polarization $\zeta$ and the temperature $T$. We explicitly treat…

Strongly Correlated Electrons · Physics 2009-11-11 M. W. C. Dharma-wardana

The magnetization of quantum dots is discussed in terms of a relatively simple but exactly solvable model Hamiltonian. The model predicts oscillations in spin polarization as a function of dot radius for a fixed electron density. These…

Mesoscale and Nanoscale Physics · Physics 2007-10-11 A. Bansil , D. Nissenbaum , B. Barbiellini , R. Saniz

We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) results for the spin-resolved density response of the uniform electron gas (UEG) at warm dense matter conditions. This allows us to unambiguously assess the accuracy…

Computational Physics · Physics 2022-05-03 Tobias Dornheim , Jan Vorberger , Zhandos Moldabekov , Panagiotis Tolias

Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…

Chemical Physics · Physics 2013-10-31 E. Rasanen , A. Odriazola , I. Makkonen , A. Harju

We present a numerical study of magnetic phases of the 2D electron gas near freezing. The calculations are performed by diffusion Monte Carlo in the fixed node approximation. At variance with the 3D case we find no evidence for the…

Strongly Correlated Electrons · Physics 2009-10-31 D. Varsano , S. Moroni , G. Senatore

The effective potential of electron--electron interaction and the two-particle \textquotedblleft density--density\textquotedblright\ correlation function have been calculated for a simple semiinfinite metal making allowance for the…

Mesoscale and Nanoscale Physics · Physics 2015-03-29 B. M. Markovych , I. M. Zadvorniak

We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…

Strongly Correlated Electrons · Physics 2015-06-11 J. Lorenzana , Z. -J. Ying , V. Brosco

We characterize the role of the spin-orbit coupling between electrons and the confining potential of the edge in nonequilibrium 2D homogeneous electronic gas. We derive a simple analytical result for the magnitude of the current induced…

Mesoscale and Nanoscale Physics · Physics 2011-03-18 Peter Bokes , Frantisek Horvath

A novel energy minimization formulation of electrostatics that allows computation of the electrostatic energy and forces to any desired accuracy in a system with arbitrary dielectric properties is presented. An integral equation for the…

Classical Physics · Physics 2009-11-13 O. I. Obolensky , T. P. Doerr , R. Ray , Yi-Kuo Yu

We use the diagram technique for spin operators to calculate Green's functions and observables of the spin-1/2 quantum Heisenberg antiferromagnet on a square lattice. The first corrections to the self-energy and interaction are taken into…

Strongly Correlated Electrons · Physics 2009-10-31 A. Sherman , M. Schreiber

The condensation energy of the homogeneous electron gas is calculated within the density functional theory for superconductors. Purely electronic considerations include the exchange energy exactly and the correlation energy on a level of…

Superconductivity · Physics 2013-04-02 M. Wierzbowska , J. W. Krogh

We consider spin-vorticity coupling - the generation of spin polarization by vorticity - in viscous two-dimensional electron systems with spin-orbit coupling. We first derive hydrodynamic equations for spin and momentum densities in which…

Mesoscale and Nanoscale Physics · Physics 2019-02-18 Ruben J. Doornenbal , Marco Polini , R. A. Duine

We reformulate the strong-interaction limit of electronic density functional theory in terms of a classical problem with a degenerate minimum. This allows us to clarify many aspects of this limit, and to write a general solution, which is…

Materials Science · Physics 2007-05-23 Michael Seidl , Paola Gori-Giorgi , Andreas Savin

We introduce an integrable model of spin-polarized interacting electrons subject to a spin-conserving spin-orbit interaction. Using Bethe Ansatz and conformal field theory we calculate the exact large-time single-electron and density…

Strongly Correlated Electrons · Physics 2014-06-03 A. A. Zvyagin , H. Johannesson

Ground and excited states of a confined negative Hydrogen ion has been pursued under Kohn-Sham density functional approach by invoking a physically motivated work-function-based exchange potential. The exchange-only results are of near…

Atomic Physics · Physics 2022-05-23 Sangita Majumdar , Neetik Mukherjee , Amlan K. Roy

Newly introduced equilibrium Wigner functions for particles with spin one-half are used in the semi-classical kinetic equations to study a possible relation between thermal vorticity and spin polarization. It is shown that in global…

Nuclear Theory · Physics 2022-09-21 Avdhesh Kumar