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Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

A new method to determine electron correlation energy is described. This method is based on a better representation of the potential due to interacting electrons that is obtained by specifying both the average and standard deviation. The…

Materials Science · Physics 2007-05-23 T. R. S. Prasanna

In this paper we analyze how radiation effects influence the correlation functions, the excess energy, and in turn the electron correlation energy of the quantized electron gas at temperature $T=0$. To that aim we resort to a statistical…

Statistical Mechanics · Physics 2020-08-26 Johan S. Høye , Enrique Lomba

We show that the expression of the high-density (i.e small-$r_s$) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form $\Ec(r_s) = -\pi^2/360 +…

Strongly Correlated Electrons · Physics 2013-08-19 Pierre-François Loos

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 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

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

We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…

Materials Science · Physics 2009-11-10 A. Rebei , W. N. G. Hitchon

We calculate the correlation energy of a two-dimensional homogeneous electron gas using several available approximations for the exchange-correlation kernel $f_{\rm xc}(q,\omega)$ entering the linear dielectric response of the system. As in…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 R. Asgari , M. Polini , B. Davoudi , M. P. Tosi

The uniform electron gas is a key model system in the description of matter, including dense plasmas and solid state systems. However, the simultaneous occurence of quantum, correlation, and thermal effects makes the theoretical description…

Plasma Physics · Physics 2017-05-24 Simon Groth , Tobias Dornheim , Michael Bonitz

We introduce a new paradigm for finite and infinite strict-one-dimensional uniform electron gases. In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. In the high-density limit (small-$r_s$, where…

Strongly Correlated Electrons · Physics 2012-08-15 Pierre-François Loos , Peter M. W. Gill

The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

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

Most treatments of electron-electron correlations in dense plasmas either ignore them entirely (random phase approximation) or neglect the role of ions (jellium approximation). In this work, we go beyond both these approximations to derive…

Plasma Physics · Physics 2020-02-05 Nathaniel R. Shaffer , Charles E. Starrett

The condensation energy of the homogeneous electron gas is calculated within the density functional theory for superconductors. Purely electronic considerations include the exchange energy exactly and the correlation energy on a level of…

Superconductivity · Physics 2013-04-02 M. Wierzbowska , J. W. Krogh

Density Functional Theory relies on universal functionals characteristic of a given system. Those functionals in general are different for the electron gas and for jellium (electron gas with uniform background). However, jellium is…

Statistical Mechanics · Physics 2017-05-23 James W. Dufty

Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…

Chemical Physics · Physics 2013-10-31 E. Rasanen , A. Odriazola , I. Makkonen , A. Harju

Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…

Chemical Physics · Physics 2019-07-10 Tim Gould , Stefano Pittalis

The nature of electron correlations in bilayer graphene has been investigated. An analytic expression for the radial distribution function is derived for an ideal electron gas and the corresponding static structure factor is evaluated. We…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 D. S. L. Abergel , Tapash Chakraborty
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