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For inhomogeneous interacting electronic systems under a time-dependent electromagnetic perturbation, we derive the linear equation for response functions in a quantum mechanical manner. It is a natural extension of the original…

Other Condensed Matter · Physics 2017-10-24 Taichi Kosugi , Yu-ichiro Matsushita

The ground states of the homogeneous electron gas and the homogeneous electron liquid are cornerstones in quantum physics and chemistry. They are archetypal systems in the regime of slowly varying densities in which the exchange-correlation…

Strongly Correlated Electrons · Physics 2023-08-28 L. V. Duc Pham , Pascal Sattler , Miguel A. L. Marques , Carlos L. Benavides-Riveros

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

We resolve the long-standing controversy over the surface energy of simple metals: Density functional methods that require uniform-electron-gas input agree with each other at many levels of sophistication, but not with high-level correlated…

Materials Science · Physics 2009-11-13 Lucian A. Constantin , J. M. Pitarke , J. F. Dobson , A. Garcia-Lekue , John P. Perdew

The ground-state behavior of the symmetric electron-electron and electron-hole bilayers is studied by including dynamic correlation effects within the quantum version of Singwi, Tosi, Land, and Sjolander (qSTLS) theory. The static…

Strongly Correlated Electrons · Physics 2009-11-07 R. K. Moudgil , L. K. Saini , Gaetano Senatore

The random phase approximation (RPA) for the correlation energy functional of density functional theory has recently attracted renewed interest. Formulated in terms of the Kohn-Sham (KS) orbitals and eigenvalues, it promises to resolve some…

Other Condensed Matter · Physics 2009-11-13 Hong Jiang , Eberhard Engel

An accurate expression for the exchange-correlation free energy f_{xc} of homogeneous electron fluids at finite temperatures is presented on the basis of Singwi-Tosi-Land-Sjolander (STLS) approximation. In addition to the derivation for the…

Strongly Correlated Electrons · Physics 2022-10-13 Shigenori Tanaka

Local and semilocal density-functional approximations for the exchange-correlation energy fail badly in the zero-thickness limit of a quasi-two-dimensional electron gas, where the density variation is rapid almost everywhere. Here we show…

Materials Science · Physics 2009-11-13 Lucian A. Constantin , John P. Perdew , J. M. Pitarke

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

We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…

Chemical Physics · Physics 2021-05-26 Julien Paquier , Julien Toulouse

We apply the quantum Singwi-Tosi-Land-Sjolander (QSTLS) theory for a study of many-body effects in the quasi-two-dimensional (Q2D) electron liquid (EL) in GaAs/AlxGa1-xAs heterojunctions. The effect of the layer thickness is included…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Nguyen Thanh Son , Nguyen Quoc Khanh

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

The structural properties of strongly coupled ions in dense plasmas with moderately to strongly degenerate electrons are investigated in the framework of the one-component plasma model of ions interacting through a screened pair interaction…

Plasma Physics · Physics 2018-09-10 Zh. A. Moldabekov , S. Groth , T. Dornheim , H. Kaehlert , M. Bonitz , T. S. Ramazanov

We assess the performance of a recently proposed renormalized adiabatic local density approximation (rALDA) for \textit{ab initio} calculations of electronic correlation energies in solids and molecules. The method is an extension of the…

Materials Science · Physics 2014-05-30 Thomas Olsen , Kristian S. Thygesen

Self-consistent correlation potentials for H$_2$ and LiH for various inter-atomic separations are obtained within the random phase approximation (RPA) of density functional theory. The RPA correlation potential shows a peak at the bond…

Chemical Physics · Physics 2015-05-30 M. Hellgren , D. R. Rohr , E. K. U. Gross

A fast method is developed for calculating the Random-Phase-Approximation (RPA) correlation energy for density functional theory. The correlation energy is given by a trace over a projected RPA response matrix and the trace is taken by a…

Chemical Physics · Physics 2013-01-01 Daniel Neuhauser , Eran Rabani , Roi Baer

We study the correlation energy associated with the pair fluctuations in BCS theory. We use a schematic two-level pairing model and discuss the behavior of the correlation energy across shell closures, including the even-odd differences. It…

Nuclear Theory · Physics 2009-11-06 K. Hagino , G. F. Bertsch

The screened ion potential in non-ideal dense quantum plasmas is investigated by invoking the Singwi-Tosi-Land-Sj\"olander approximation for the electronic local field correction at densities $r_s\lesssim 2$ and degeneracy parameters…

Plasma Physics · Physics 2018-02-09 Zh. A. Moldabekov , S. Groth , T. Dornheim , M. Bonitz , T. S. Ramazanov

The Singwi, Sjolander, Tosi, Land (SSTL) approach is generalized to study the spin correlation effects in a one dimensional electron gas. It is shown that the SSTL approach is capable of generating results comparable to the more widely used…

Condensed Matter · Physics 2007-05-23 Murat Tas , Mehmet Tomak

The random-phase approximation to the ground state correlation energy (RPA) in combination with exact exchange (EX) has brought Kohn-Sham (KS) density functional theory one step closer towards a universal, "general purpose first principles…

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