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We construct and apply an exchange-correlation functional for the one-dimensional Hubbard model. This functional has built into it the Luttinger-liquid and Mott-insulator correlations, present in the Hubbard model, in the same way in which…

Strongly Correlated Electrons · Physics 2007-05-23 K. Capelle , N. A. Lima , M. F. Silva , L. N. Oliveira

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

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

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

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 present a metric-space approach to quantify the performance of density-functional approximations for interacting many-body systems and to explore the validity of the Hohenberg-Kohn-type theorem on fermionic lattices. This theorem…

Quantum Physics · Physics 2018-03-06 V. V. França , J. P. Coe , I. D'Amico

We present a concise account of our development of the first genuine Local Density Approximation (LDA) to the Energy Density Functional (EDF) for fermionic systems with superfluid correlations, with a particular emphasis to nuclear systems.

Nuclear Theory · Physics 2009-11-10 Aurel Bulgac , Yongle Yu

The first detailed comparison between ab initio calculations of finite fermionic superfluid systems, performed recently by Chang and Bertsch [Phys. Rev. A 76, 021603(R), (2007)] and by von Stecher, Greene and Blume [e-print…

Superconductivity · Physics 2009-02-05 Aurel Bulgac

The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is parameterized as a function of its spin density $n$, leading…

Chemical Physics · Physics 2021-02-10 Susi Lehtola , Miguel A. L. Marques

The thermodynamics of the inhomogeneous one-dimensional repulsive fermionic Hubbard model with parabolic confinement is studied by a density-functional theory approach, based on Mermin's generalization to finite temperatures. A…

Strongly Correlated Electrons · Physics 2019-04-25 V. L. Campo

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 discuss the application of the density functional theory in the local density approximation (LDA) near a ferromagnetic quantum critical point. The LDA fails to describe the critical fluctuations in this regime. This provides a…

Strongly Correlated Electrons · Physics 2007-05-23 I. I. Mazin , D. J. Singh , A. Aguayo

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 show how one can construct \alert{a simple} exchange functional by extending the well-know local-density approximation (LDA) to finite uniform electron gases. This new generalized local-density approximation (GLDA) functional uses only…

Chemical Physics · Physics 2017-05-01 Pierre-François Loos

The known and usable truly nonlocal functionals for exchange-correlation energy of the inhomogeneous electron gas are the ADA (average density approximation) and the WDA (weighted density approximation). ADA, by design, yields the correct…

Materials Science · Physics 2009-10-30 I. I. Mazin , D. J. Singh

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 time-dependent superfluid local density approximation (TDSLDA) is an extension of the Hohenberg-Kohn density functional theory (DFT) to time-dependent phenomena in superfluid fermionic systems. Unlike linear response theory, which is…

Quantum Gases · Physics 2015-04-13 Aurel Bulgac , Michael McNeil Forbes

The ground-state properties of one-dimensional 3He are studied using quantum Monte Carlo methods. The equation of state is calculated in a wide range of physically relevant densities and is well reproduced by a power-series fit. The…

Quantum Gases · Physics 2015-01-12 G. E. Astrakharchik , J. Boronat

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

We study a lattice version of the local density approximation (LDA) based on Behte ansatz (BALDA). Contrary to what happens in Density Functional Theory (DFT) in the continuum and despite its name, BALDA displays some very non-local…

Strongly Correlated Electrons · Physics 2015-06-11 Zu-Jian Ying , Valentina Brosco , José Lorenzana
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