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相关论文: Density-functionals not based on the electron gas:…

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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

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

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…

化学物理 · 物理学 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…

其他凝聚态物理 · 物理学 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…

化学物理 · 物理学 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…

量子物理 · 物理学 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.

核理论 · 物理学 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…

超导电性 · 物理学 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…

化学物理 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

化学物理 · 物理学 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…

化学物理 · 物理学 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…

材料科学 · 物理学 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…

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

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…

量子气体 · 物理学 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…

量子气体 · 物理学 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…

化学物理 · 物理学 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…

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