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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…

Materials Science · Physics 2009-11-10 Roi Baer , Daniel Neuhauser

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…

Materials Science · Physics 2024-11-28 Mario Benites , Angel Rosado , Efstratios Manousakis

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

Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of…

Strongly Correlated Electrons · Physics 2010-06-22 E. Rasanen , S. Pittalis , C. R. Proetto

We demonstrate for the first time that a functional-renormalization-group aided density-functional theory (FRG-DFT) describes well the characteristic features of the excited states as well as the ground state of an interacting many-body…

Nuclear Theory · Physics 2019-03-08 Takeru Yokota , Kenichi Yoshida , Teiji Kunihiro

We present the first successful functional renormalization group(FRG)-aided density-functional (DFT) calculation of the equation of state (EOS) of an infinite nuclear matter (NM) in (1+1)-dimensions composed of spinless nucleons. We give a…

Nuclear Theory · Physics 2019-02-06 Takeru Yokota , Kenichi Yoshida , Teiji Kunihiro

Reduced density-matrix functional theory (RDMFT) has become an appealing alternative to density-functional theory to describe electronic properties of highly-correlated systems. Here we derive exact conditions for the suitability of RDMFT…

Strongly Correlated Electrons · Physics 2012-04-19 A. Putaja , E. Rasanen

We show an application of the functional-renormalization-group aided density functional theory to the homogeneous electron gas with arbitrary spin polarization, which gives the energy density functional in the local spin density…

Strongly Correlated Electrons · Physics 2022-01-12 Takeru Yokota , Tomoya Naito

We use the functional renormalization group (FRG) to derive analytical expressions for thermodynamic observables (density, pressure, entropy, and compressibility) as well as for single-particle properties (wavefunction renormalization and…

Quantum Gases · Physics 2017-01-19 Jan Krieg , Dominik Strassel , Simon Streib , Sebastian Eggert , Peter Kopietz

The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…

Strongly Correlated Electrons · Physics 2009-02-25 S. Pittalis , E. Rasanen , C. Proetto , E. K. U. Gross

Using the dynamical mean-field theory (DMFT) as a `booster-rocket', the functional renormalization group (fRG) can be upgraded from a weak-coupling method to a powerful computation tool for strongly interacting fermion systems. The strong…

Strongly Correlated Electrons · Physics 2019-03-13 Demetrio Vilardi , Ciro Taranto , Walter Metzner

The two-dimensional (2D) homogeneous electron gas (HEG) is a fundamental model in quantum many-body physics. It is important to theoretical and computational studies, where exchange-correlation energies computed in it serve as the…

Strongly Correlated Electrons · Physics 2025-01-17 Yiqi Yang , Yubo Yang , Kun Chen , Miguel A. Morales , Shiwei Zhang

An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was recently derived from a study of the homogeneous electron gas (N.N. Lathiotakis, N. Helbig, E.K.U. Gross, Phys. Rev. B 75, 195120 (2007)).…

Strongly Correlated Electrons · Physics 2009-11-13 N. N. Lathiotakis , N. Helbig , A. Zacarias , E. K. U. Gross

In nuclear physics, Density Functional Theory (DFT) provides the basis for state-of-the art studies of ground-state properties of heavy nuclei. However, the direct relation of the density functional underlying these calculations and the…

Nuclear Theory · Physics 2016-12-21 Sandra Kemler , Martin Pospiech , Jens Braun

We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…

Strongly Correlated Electrons · Physics 2008-11-21 S. Pittalis , E. Rasanen , M. Marques

The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…

Chemical Physics · Physics 2022-10-31 Pavel Beran , Katarzyna Pernal , Fabijan Pavosevic , Libor Veis

Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion (ICF) applications. The work horse of warm dense…

The homogeneous electron gas is one of the most studied model systems in condensed matter physics. It is also at the basis of the large majority of approximations to the functionals of density functional theory. As such, its…

Strongly Correlated Electrons · Physics 2020-07-14 Robert Schlesier , Carlos L. Benavides-Riveros , Miguel A. L. Marques

We report a local, weight-dependent correlation density-functional approximation that incorporates information about both ground and excited states in the context of density-functional theory for ensembles (eDFT). This density-functional…

Chemical Physics · Physics 2020-06-05 Pierre-François Loos , Emmanuel Fromager

An exchange correlation energy functional involving fractional power of the one-body reduced density matrix [Phys. Rev. B {\bf 78}, 201103 (2008)] is applied to finite systems and to the homogeneous electron gas. The performance of the…

Strongly Correlated Electrons · Physics 2015-05-13 N. N. Lathiotakis , S. Sharma , J. K. Dewhurst , F. Eich , M. A. L. Marques , E. K. U. Gross
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