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We propose a simple and accurate model for the electron static structure factors (and corresponding pair-correlation functions) of the 3D unpolarized homogeneous electron gas. Our spin-resolved pair-correlation function is built up with a…

Condensed Matter · Physics 2009-10-31 Paola Gori-Giorgi , Francesco Sacchetti , Giovanni B. Bachelet

Based on its known exact properties and a new set of extensive fixed-node reptation quantum Monte Carlo simulations (both with and without backflow correlations, which in this case turn out to yield negligible improvements), we propose a…

Strongly Correlated Electrons · Physics 2009-11-10 Paola Gori-Giorgi , Saverio Moroni , Giovanni B. Bachelet

For the two-dimensional electron gas, the exact high-density limit of the correlation energy is evaluated here numerically for all values of the spin polarization. The result is spin-resolved into $\uparrow\uparrow$, $\uparrow\downarrow$,…

Materials Science · Physics 2009-11-10 Michael Seidl

The ground state energy of the two--dimensional uniform electron gas has been calculated with fixed--node diffusion Monte Carlo, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We…

Strongly Correlated Electrons · Physics 2009-11-07 Claudio Attaccalite , Saverio Moroni , Paola Gori-Giorgi , Giovanni B. Bachelet

We have studied the spin-polarized three-dimensional homogeneous electron gas using the diffusion quantum Monte Carlo method, with trial wave functions including backflow and three-body correlations in the Jastrow factor, and we have used…

Strongly Correlated Electrons · Physics 2013-08-28 G G Spink , R J Needs , N D Drummond

We propose a simple analytic representation of the correlation energy for the two-dimensional electron gas, as a function of the density and the spin polarization. This new parametrization includes most of the known high- and low- density…

Strongly Correlated Electrons · Physics 2007-05-23 Paola Gori-Giorgi , Claudio Attaccalite , Saverio Moroni , Giovanni B. Bachelet

We generalize the uniform-gas correlation energy formalism of Singwi, Tosi, Land and Sjolander to the case of an arbitrary inhomogeneous many-particle system. For jellium slabs of finite thickness with a self-consistent LDA groundstate…

Condensed Matter · Physics 2009-11-07 John F. Dobson , Jun Wang , Tim Gould

The correlation energy per electron in the high-density uniform electron gas can be written as $\Ec(r_s,\zeta) = \lam_0(\zeta) \ln r_s + \eps_0(\zeta) + \lam_1(\zeta) \,r_s \ln r_s + O(r_s)$, where $r_s$ is the Seitz radius and $\zeta$ is…

Strongly Correlated Electrons · Physics 2011-08-08 Pierre-François Loos , Peter M. W. Gill

The negative correlation energy per particle of a uniform electron gas of density parameter $r_s$ and spin polarization $\zeta$ is well known, but its spin resolution into up-down, up-up, and down-down contributions is not. Widely-used…

Condensed Matter · Physics 2009-11-10 Paola Gori-Giorgi , John P. Perdew

We have obtained an analytic expression for the ring diagrams contribution to the correlation energy of a two dimensional electron liquid as a function of the uniform fractional spin polarization. Our results can be used to improve on the…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 S. Chesi , G. F. Giuliani

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

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

For a fermion gas with equally spaced energy levels, the density and the pair correlation function are obtained. The derivation is based on the path integral approach for identical particles and the inversion of the generating functions for…

Statistical Mechanics · Physics 2009-10-31 F. Brosens , J. T. Devreese , L. F. Lemmens

Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…

Materials Science · Physics 2009-11-11 Simone Paziani , Saverio Moroni , Paola Gori-Giorgi , Giovanni B. Bachelet

We present an analytic theory of the pair distribution function and the ground-state energy in a two-dimensional (2D) electron gas with an arbitrary degree of spin polarization. Our approach involves the solution of a zero-energy scattering…

Strongly Correlated Electrons · Physics 2009-11-10 R. Asgari , B. Davoudi , M. P. Tosi

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 use a recent approach [Phys. Rev. Letters, {\bf 84}, 959 (2000)] for including Coulomb interactions in quantum systems via a classical mapping of the pair-distribution functions (PDFs) for a study of the 2-D electron gas. As in the 3-D…

Strongly Correlated Electrons · Physics 2009-11-07 François Perrot , M. W. C. Dharma-wardana

We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…

Strongly Correlated Electrons · Physics 2010-02-25 E. Rasanen , S. Pittalis

We analyse the ground-state energy and correlation energy of the Heisenberg model as a function of spin, both in the ferromagnetic and in the antiferromagnetic case, and in one, two and three dimensions. First, we present a comparative…

Materials Science · Physics 2009-11-10 Valter L. Libero , K. Capelle

The exchange and correlation $E_{xc}$ of strongly correlated electrons in 2D layers of finite width are studied as a function of the density parameter $r_s$, spin-polarization $\zeta$ and the temperature $T$. We explicitly treat…

Strongly Correlated Electrons · Physics 2009-11-11 M. W. C. Dharma-wardana
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