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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…

强关联电子 · 物理学 2007-05-23 K. Capelle , N. A. Lima , M. F. Silva , L. N. Oliveira

We present an extensive numerical study of ground-state properties of confined repulsively interacting fermions on one-dimensional optical lattices. Detailed predictions for the atom-density profiles are obtained from parallel Kohn-Sham…

强关联电子 · 物理学 2012-08-27 Gao Xianlong , Marco Polini , M. P. Tosi , Vivaldo L. Campo, , Klaus Capelle , Marcos Rigol

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…

强关联电子 · 物理学 2015-06-11 Zu-Jian Ying , Valentina Brosco , José Lorenzana

A new supersymmetric model for electrons with generalized hopping terms and Hubbard interaction on a one-dimensional lattice is solved by means of the Bethe Ansatz. We investigate the phase diagram of this model by studying the ground state…

凝聚态物理 · 物理学 2009-10-28 Gerald Bedürftig , Holger Frahm

A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…

其他凝聚态物理 · 物理学 2007-05-23 R. J. Magyar , K. Burke

We present a density functional theory (DFT) for lattice models with local electron-electron (e-e) and electron-phonon (e-ph) interactions. Exchange-correlation potentials are derived via dynamical mean field theory for the…

强关联电子 · 物理学 2019-09-04 E. Viñas Boström , P. Helmer , P. Werner , C. Verdozzi

Charge density and magnetization density profiles of one-dimensional metals are investigated by two complementary many-body methods: numerically exact (Lanczos) diagonalization, and the Bethe-Ansatz local-density approximation with and…

强关联电子 · 物理学 2009-11-13 Daniel Vieira , Henrique J. P. Freire , V. L. Campo , K. Capelle

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…

强关联电子 · 物理学 2015-05-27 N. Helbig , J. I. Fuks , M. Casula , M. J. Verstraete , M. A. L. Marques , I. V. Tokatly , A. Rubio

We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…

材料科学 · 物理学 2009-11-10 Roi Baer , Daniel Neuhauser

We present exact results for the dynamical structure function, i.e.~the density-density correlations for the 1/r^2 system of interacting particles at three special values of the coupling constant. The results are interpreted in terms of…

凝聚态物理 · 物理学 2016-08-31 E. R. Mucciolo , B. S. Shastry , B. D. Simons , B. L. Altshuler

We consider density-density correlations in the one-dimensional Hubbard model at half filling. On intuitive grounds one might expect them to exhibit an exponential decay. However, as has been noted recently, this is not obvious from the…

强关联电子 · 物理学 2009-10-31 Fabian H. L. Essler , Holger Frahm

To address the impact of electron correlations in the linear and non-linear response regimes of interacting many-electron systems exposed to time-dependent external fields, we study one-dimensional (1D) systems where the interacting problem…

其他凝聚态物理 · 物理学 2011-08-17 N. Helbig , J. I. Fuks , I. V. Tokatly , H. Appel , E. K. U. Gross , A. Rubio

We calculate the `exact' potential corresponding to a one-dimensional interacting system of two electrons with a specific, tailored density. We use one-dimensional density-functional theory with a local-density approximation (LDA) on the…

其他凝聚态物理 · 物理学 2015-05-13 J. P. Coe , I. D'Amico

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…

其他凝聚态物理 · 物理学 2018-06-27 Mike Entwistle , Michele Casula , Rex Godby

Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…

强关联电子 · 物理学 2007-10-11 B. Barbiellini , A. Bansil

In this thesis we present a new formalism to study linear and non-linear response in extended systems. Our approach is based on real-time solution of an effective Schr\"odinger equation. The coupling between electrons and external field is…

材料科学 · 物理学 2017-04-24 Claudio Attaccalite

We revisit the one-dimensional attractive Hubbard model by using the Bethe-ansatz based density-functional theory and density-matrix renormalization method. The ground-state properties of this model are discussed in details for different…

We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…

材料科学 · 物理学 2024-11-28 Mario Benites , Angel Rosado , Efstratios Manousakis

We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…

化学物理 · 物理学 2012-08-20 Kamal Sharkas , Andreas Savin , Hans Jørgen Aa. Jensen , Julien Toulouse

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…

强关联电子 · 物理学 2019-04-25 V. L. Campo
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