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In this chapter we discuss methods to calculate the entanglement of a system using density-functional theory. We firstly introduce density-functional theory and the local-density approximation (LDA). We then discuss the concept of the…

Other Condensed Matter · Physics 2015-05-18 J. P. Coe , I. D'Amico

Motivated by high-accuracy scanning tunneling spectroscopy measurements on disordered two-dimensional electron gases in strong magnetic field, we present an exact solution for the local density of states (LDoS) of electrons moving in an…

Mesoscale and Nanoscale Physics · Physics 2009-10-29 Thierry Champel , Serge Florens

The Generalized Slater-Jastrow trial functional is a modification of the Slater-Jastrow functional where, effectively, the argument of the Jastrow factor can be momentum dependent. The associated Euler equations, which provide an…

Strongly Correlated Electrons · Physics 2021-09-06 James C Porter

Motivated by current interest in strongly correlated quasi-one-dimensional (1D) Luttinger liquids subject to axial confinement, we present a novel density-functional study of few-electron systems confined by power-low external potentials…

Strongly Correlated Electrons · Physics 2007-05-23 S. H. Abedinpour , M. Polini , Gao Xianlong , M. P. Tosi

We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…

Strongly Correlated Electrons · Physics 2010-06-30 E. Rasanen , S. Pittalis , J. G. Vilhena , M. A. L. Marques

We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce…

Strongly Correlated Electrons · Physics 2021-08-03 Takeru Yokota , Tomoya Naito

The frequency-dependent response of a one-dimensional fermion system is investigated using Current Density Functional Theory (CDFT) within the local approximation (LDA). DFT-LDA, and in particular CDFT-LDA, reproduces very well the…

Strongly Correlated Electrons · Physics 2010-04-01 Michael Dzierzawa , Ulrich Eckern , Stefan Schenk , Peter Schwab

The subject of this study is the exchange-correlation-energy functional of reduced density matrix functional theory. Approximations of this functional are tested by applying them to the homogeneous electron gas. We find that two…

Materials Science · Physics 2011-01-14 N. N. Lathiotakis , N. Helbig , E. K. U. Gross

We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…

Chemical Physics · Physics 2021-05-26 Julien Paquier , Julien Toulouse

The concept of the electron localization function (ELF) is extended to two-dimensional (2D) electron systems. We show that the topological properties of the ELF in 2D are considerably simpler than in molecules studied previously. We compute…

Strongly Correlated Electrons · Physics 2008-05-08 E. Rasanen , A. Castro , E. K. U. Gross

We study the nonequilibrium properties of the one dimensional Lieb Liniger model in the finite repulsion regime. Introducing a new version of the Yudson representation applicable to finite size systems and appropriately taking the infinite…

Quantum Gases · Physics 2014-05-19 Garry Goldstein , Natan Andrei

We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…

Materials Science · Physics 2009-10-30 J. M. Pitarke , A. G. Eguiluz

For closed-shell systems, the local density approximation (LDA) and the LYP, BLYP, and B3LYP functionals are shown to be compatible with reference-state one-particle density-matrix theory, where this recently introduced formalism is based…

Chemical Physics · Physics 2009-11-10 James P. Finley

The density of states and the Hall conductivity of a two-dimensional electron gas in a uniform magnetic field and in the presence of a delta impurity are exactly calculated using elementary field theoretic techniques. Although these results…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 R. M. Cavalcanti , C. A. A. de Carvalho

Presented here are calculations of the distortion of the density of an electron gas due to the electrostatic field of a proton. Several models based upon the local density approximation (LDA) of density functional theory [linear response…

chem-ph · Physics 2009-10-22 Gary G. Hoffman , Lawrence R. Pratt

The structure of the QCD gluonic cascade in configuration space is investigated. The explicit form of the inclusive single particle density in configuration space transverse coordinates is derived in the double logarithmic approximation…

High Energy Physics - Phenomenology · Physics 2011-09-13 B. Ziaja

Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. Beyond local density approximation, the generalized gradient…

Materials Science · Physics 2017-04-12 Subrata Jana , Prasanjit samal

The functional-renormalization-group aided density-functional theory (FRG-DFT) is applied to the two-dimensional homogeneous electron gas (2DHEG). The correlation energy of the 2DHEG is derived as a function of the Wigner-Seitz radius $…

Strongly Correlated Electrons · Physics 2019-03-13 Takeru Yokota , Tomoya Naito

Density functional methods were developed, in which the Coulomb electron-electron interaction is split into a long- and a short-range part. In such methods, one term is calculated using traditional density functional approximations, like…

Chemical Physics · Physics 2007-05-23 Julien Toulouse , Andreas Savin

Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third--…

Strongly Correlated Electrons · Physics 2012-04-11 N. E. Zein , S. Y. Savrasov , G. Kotliar