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We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study…

Chemical Physics · Physics 2015-06-26 Julien Toulouse , Paola Gori-Giorgi , Andreas Savin

We present a controlled method for computing the exchange coupling in strongly correlated one-dimensional electron systems. It is based on the asymptotically exact relation between the exchange constant and the pair-correlation function of…

Strongly Correlated Electrons · Physics 2007-05-23 Michael M. Fogler , Eugene Pivovarov

We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to…

Strongly Correlated Electrons · Physics 2013-04-05 Francesc Malet , André Mirtschink , Jonas C. Cremon , Stephanie M. Reimann , Paola Gori-Giorgi

A tight binding model of electrons interacting via bare Coulomb repulsion is numerically investigated by use of the Density Matrix Renormalization Group method which we prove applicable also to very long range potentials. From the analysis…

Strongly Correlated Electrons · Physics 2009-10-31 G. Fano , F. Ortolani , A. Parola , L. Ziosi

In this work, we calculate the electron and the current density distributions both at the edges and the bulk of a two dimensional electron system, focusing on ideal and non-ideal contacts. A three dimensional Poisson equation is solved…

Mesoscale and Nanoscale Physics · Physics 2015-03-13 D. Eksi , O. Kilicoglu , O. Goektas , A. Siddiki

We consider pairing of massless Dirac electrons and holes located on opposite surfaces of thin film of "strong" three-dimensional topological insulator. Such pairing was predicted to give rise to topological exciton condensate with unusual…

Mesoscale and Nanoscale Physics · Physics 2013-07-09 D. K. Efimkin , Yu. E. Lozovik , A. A. Sokolik

Using a controlled analytic treatment, we derive a model that generically describes cooperative strong electron-phonon interaction (EPI) in one-band and two-band Jahn-Teller (JT) systems. The model involves a {\em next-nearest-neighbor}…

Strongly Correlated Electrons · Physics 2008-03-04 Sudhakar Yarlagadda

Motivated by recent suggestions --to split the electron-electron interaction into a short-range part, to be treated within the density functional theory, and a long-range part, to be handled by other techniques-- we compute, with a…

Materials Science · Physics 2009-11-10 Lorenzo Zecca , Paola Gori-Giorgi , Saverio Moroni , Giovanni B. Bachelet

We consider a model of three electrons and one hole confined in a two-dimensional (2D) plane, interacting with one another through Coulomb forces. Using a Ritz variational method we find an upper bound of \approx -0.0112me^4/8\pi^2 \epsilon…

Strongly Correlated Electrons · Physics 2007-05-23 Nie Luo

The nonlocal electrodynamics of uniformly rotating systems is presented and its predictions are discussed. In this case, due to paucity of experimental data, the nonlocal theory cannot be directly confronted with observation at present. The…

High Energy Physics - Theory · Physics 2010-11-19 Bahram Mashhoon

We show in this note how many electron irreducible representations of the Lorentz group L can be expressed in terms of the sums of Slater determinants and principal minors. In this way the full configuration wave function of quantum…

General Physics · Physics 2007-05-23 Jacobus A. de Wet

We investigate nonequilibrium effects in the transport of interacting electrons in quantum conductors, proposing the nonlocal thermoelectric response as a direct indicator of the presence of interactions, nonthermal states and the effect of…

Mesoscale and Nanoscale Physics · Physics 2024-05-10 Alessandro Braggio , Matteo Carrega , Björn Sothmann , Rafael Sánchez

Electron-electron interactions and correlations form the basis of difficulties encountered in the theoretical solution of problems dealing with multi-electron systems. Accurate treatment of the electron-electron problem is likely to unravel…

Quantum Physics · Physics 2022-03-24 E. O. Jobunga

Learning from data has led to a paradigm shift in computational materials science. In particular, it has been shown that neural networks can learn the potential energy surface and interatomic forces through examples, thus bypassing the…

Strongly Correlated Electrons · Physics 2019-02-18 Jianhua Ma , Puhan Zhang , Yaohua Tan , Avik W. Ghosh , Gia-Wei Chern

A Wigner-Poisson kinetic equation describing charge transport in doped semiconductor superlattices is proposed. Electrons are supposed to occupy the lowest miniband, exchange of lateral momentum is ignored and the electron-electron…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 L. L. Bonilla , R. Escobedo

We present here novel insight into exchange-correlation functionals in density functional theory, based on the viewpoint of optimal transport. We show that in the case of two electrons and in the semiclassical limit, the exact…

Analysis of PDEs · Mathematics 2015-03-19 Codina Cotar , Gero Friesecke , Claudia Klüppelberg

Coupled two-dimensional electron-hole bilayers provide a unique platform to study strongly correlated Bose-Fermi mixtures in condensed matter. Electrons and holes in spatially separated layers can bind to form interlayer excitons, composite…

We propose approximations which go beyond the local density approximation for the short-range exchange and correlation density functionals appearing in a multi-determinantal extension of the Kohn-Sham scheme. A first approximation consists…

Chemical Physics · Physics 2009-11-10 Julien Toulouse , Francois Colonna , Andreas Savin

The dynamics of the Earth's outer radiation belt, filled by energetic electron fluxes, is largely controlled by electron resonant interactions with electromagnetic whistler-mode waves. The most coherent and intense waves resonantly interact…

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten
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