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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

We present numerically exact solutions to the full-dimensional Schrodinger Equation for the few-electron gas (few-EG) model of electronic structure theory. Our core methodology uses a Sum-of-Products (SOP) representation of singular…

Strongly Correlated Electrons · Physics 2019-11-13 Jonathan Jerke , Eric R Bittner , Bill Poirier

The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…

Materials Science · Physics 2017-08-23 M. Ya. Amusia , A. Z. Msezane , V. R. Shaginyan

The Green's function~(GF) of two localized magnetic moments embedded in the electron gas is calculated exactly. The electrons are treated in the effective mass approximation and the magnetic moments are coupled with electrons by a…

Strongly Correlated Electrons · Physics 2020-05-05 Tomasz M. Rusin , Wlodek Zawadzki

An ensemble Green's function formalism, based on the von Neumann density matrix approach, to calculate one-electron excitation spectra of a many-electron system with degenerate ground states is proposed. A set of iterative equations for the…

Strongly Correlated Electrons · Physics 2019-12-24 Erik Linnér , Ferdi Aryasetiawan

We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly non-local density…

Strongly Correlated Electrons · Physics 2012-12-12 Francesc Malet , Paola Gori-Giorgi

We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…

Strongly Correlated Electrons · Physics 2018-10-25 Kossi Amouzouvi , Daniel Joubert

We report an exhaustive study of the performance of different variants of Green function methods for the spherium model in which two electrons are confined to the surface of a sphere and interact via a genuine long-range Coulomb operator.…

Chemical Physics · Physics 2018-07-23 Pierre-François Loos , Pina Romaniello , J. A. Berger

There are different ways to obtain an exact one-electron theory for a many-electron system, and the exact electron factorization (EEF) is one of them. In the EEF, the Schr\"odinger equation for one electron in the environment of other…

Chemical Physics · Physics 2022-04-06 Jakub Kocák , Eli Kraisler , Axel Schild

Aiming to combine density functional theory (DFT) and wavefunction theory, we study a mapping from the many-body interacting system to an effectively-interacting Kohn-Sham system instead of a non-interacting Kohn-Sham system. Because a…

Chemical Physics · Physics 2020-02-19 Shunsuke A. Sato , Angel Rubio

Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting…

Plasma Physics · Physics 2021-07-14 M. Laraia , C. Hanson , N. R. Shaffer , D. Saumon , D. P. Kilcrease , C. E. Starrett

Using a path integral approach and bosonization, we calculate the low energy asymptotics of the one particle Green's function for a ``magnetically incoherent'' one dimensional strongly interacting electron gas at temperatures much greater…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Gregory A. Fiete , Leon Balents

The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…

Condensed Matter · Physics 2007-05-23 M. Ya. Amusia , V. R. Shaginyan

A simple approximation which captures some non-perturbative aspects of the one electron Green function of strongly interacting Fermion systems is developed. It provides a way to go one step beyond the usual dilute limit since…

Condensed Matter · Physics 2016-08-31 Ted Hsu , Benoit Doucot

We present analytic expressions for the exact density functional and Kohn-Sham Hamiltonian of simple tight-binding models of correlated electrons. These are the single- and double-site versions of the Anderson, Hubbard and spinless fermion…

Strongly Correlated Electrons · Physics 2012-01-16 D. J. Carrascal , J. Ferrer

A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…

Chemical Physics · Physics 2007-05-23 James P. Finley

We numerically study imbalanced two component Fermi gases with attractive interactions in highly elongated harmonic traps. An accurate parametrization formula for the ground state energy is presented for a spin-polarized attractive…

Strongly Correlated Electrons · Physics 2008-03-20 Gao Xianlong , Reza Asgari

We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham…

Chemical Physics · Physics 2009-11-13 D. Van Neck , S. Verdonck , G. Bonny , P. W. Ayers , M. Waroquier

By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…

Materials Science · Physics 2009-11-07 Koichi Kusakabe

New exact and asymptotical results for the one particle Green's function of 2D electrons with combined Rashba - Dresselhaus spin - orbit interaction in the presence of in-plane uniform magnetic field are presented. A special case that…

Mesoscale and Nanoscale Physics · Physics 2019-02-01 I. V. Kozlov , Yu. A. Kolesnichenko
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