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We use time-dependent (current) density functional theory to study collective transitions between the two lowest subbands in GaAs/AlGaAs quantum wells. We focus on two systems where experimental results are available: a wide single and a…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 C. A. Ullrich , G. Vignale

We investigate the behavior of three-dimensional (3D) exchange-correlation energy functional approximations of density functional theory in anisotropic systems with two-dimensional (2D) character. Using two simple models, quasi-2D electron…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Yong-Hoon Kim , In-Ho Lee , Satyadev Nagaraja , Jean-Pierre Leburton , Randolph Q. Hood , Richard M. Martin

We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional (1D) uniform electron gases (UEGs). The fundamental parameters of the GLDA \textemdash a generalization of the widely-known…

Chemical Physics · Physics 2015-08-12 Pierre-François Loos

We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius $\rs$ and a two-electron hole curvature parameter $\eta$ at each…

Chemical Physics · Physics 2015-06-18 Pierre-François Loos , Caleb J. Ball , Peter M. W. Gill

Due to the strongly nonlocal nature of $f_{xc}({\bf r},{\bf r}',\omega)$ the {\em scalar} exchange and correlation (xc) kernel of the time-dependent density-functional theory (TDDFT), the formula for Q the friction coefficient of an…

Materials Science · Physics 2009-11-13 V. U. Nazarov , J. M. Pitarke , Y. Takada , G. Vignale , Y. -C. Chang

The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the homogeneous electron gas (HEG) is the most common approximation to the exchange-correlation functional in density functional theory. We…

Other Condensed Matter · Physics 2021-01-15 Mike Entwistle , Matthew Hodgson , Jack Wetherell , Bradley Longstaff , James Ramsden , Rex Godby

A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced…

Other Condensed Matter · Physics 2018-06-27 Mike Entwistle , Michele Casula , Rex Godby

The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…

Materials Science · Physics 2011-12-30 Amirullah M. Mamedov , Ekmel Ozbay

The viscoelasticity of a two-dimensional liquid strongly-coupled dusty plasma is studied experimentally, without macroscopic shear. Positions and velocities of the dust particles, measured by video microscopy, are used as the inputs to the…

Plasma Physics · Physics 2015-06-05 Yan Feng , J. Goree , Bin Liu

We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of…

Strongly Correlated Electrons · Physics 2015-05-27 N. Helbig , J. I. Fuks , M. Casula , M. J. Verstraete , M. A. L. Marques , I. V. Tokatly , A. Rubio

The ground state of an homogeneous electron gas is a paradigmatic state that has been used to model and predict the electronic structure of matter at equilibrium for nearly a century. For half a century, it has been successfully used to…

Chemical Physics · Physics 2024-06-11 Tim Gould , Stefano Pittalis

The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body effects are observed. They cannot be described by one of the…

Materials Science · Physics 2018-12-20 Martin Panholzer , Matteo Gatti , Lucia Reining

Within density-functional theory, the local-density approximation (LDA) correlation functional is typically built by fitting the difference between the near-exact and Hartree-Fock (HF) energies of the uniform electron gas (UEG), together…

Chemical Physics · Physics 2017-05-01 Fergus J. M. Rogers , Caleb J. Ball , Pierre-François Loos

We have calculated the exchange, correlation, and total electronic energy of a realistic InAs self-assembled quantum dot embedded in a GaAs matrix as a function of the number of electrons in the dot. The many-body interactions have been…

Condensed Matter · Physics 2010-07-28 J. Shumway , L. R. C. Fonseca , J. P. Leburton , Richard M. Martin , D. M. Ceperley

Time-dependent density-functional theory (TDDFT) treats dynamical exchange and correlation (xc) via a single-particle potential, Vxc(r,t), defined as a nonlocal functional of the density n(r',t'). The popular adiabatic local-density…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 C. A. Ullrich , I. V. Tokatly

In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…

Condensed Matter · Physics 2009-10-30 G. Vignale , C. A. Ullrich , S. Conti

We benchmark the ground state energies and the density profiles of atomic repulsive Fermi gases in optical lattices computed via Density Functional Theory (DFT) against the results of diffusion Monte Carlo (DMC) simulations. The main focus…

Quantum Gases · Physics 2018-06-12 S. Pilati , I. Zintchenko , M. Troyer , F. Ancilotto

By using the quantum Ising chain as a test bed and treating the spin polarization along the external transverse field as the "generalized density", we examine the performance of different levels of density functional approximations parallel…

Computational Physics · Physics 2021-10-27 Jiahao Mao , Haifeng Tang , Wenhui Duan , Zheng Liu

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

Most applications of time-dependent density-functional theory (TDDFT) use the adiabatic local-density approximation (ALDA) for the dynamical exchange-correlation potential Vxc(r,t). An exact (i.e., nonadiabatic) extension of the…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 C. A. Ullrich
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