Effect of coupling of forward- and backward-going electron-hole pairs on the static local-field factor of jellium

Tsolakidis, Argyrios; Shirley, Eric L.; Martin, Richard M.

doi:10.1103/physrevb.69.035104

Cited by 9 publications

(8 citation statements)

References 49 publications

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“…This fact is exploited especially for the cumbersome Bethe-Salpeter calculations [29]. An increasing though moderate importance of the coupling of resonant and antiresonant contributions with increasing Q has been found for the static structure factor of jellium by Tsolakidis, Shirley, and Martin [30]. Our results show drastic consequences of the antiresonant contributions for frequencydependent spectra of real materials: Local-field effects create a sharp peak at about 27 eV (inset in Fig.…”

mentioning

confidence: 54%

Signatures of Short-Range Many-Body Effects in the Dielectric Function of Silicon for Finite Momentum Transfer

et al. 2006

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We present an investigation of the dynamic structure factor and of the dielectric function epsilonM(Q,omega) of the prototypical semiconductor silicon for finite momentum transfer, combining inelastic x-ray scattering experiments and ab initio calculations. In contrast with optical spectra, for finite momentum transfer time-dependent density-functional theory in the adiabatic local-density approximation together with lifetime broadening describes the physics of valence excitations correctly. Major structures in the spectra, governed by short-range crystal and exchange-correlation local-field effects, are strongly influenced by a mixing of transitions of positive and negative energies, in striking difference to spectra for vanishing momentum transfer. This mixing gives rise to a pronounced Fano asymmetry.

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confidence: 54%

Signatures of Short-Range Many-Body Effects in the Dielectric Function of Silicon for Finite Momentum Transfer

et al. 2006

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“…2, we would like to note that, e.g., for r s = 2 the local-field factor of Ref. 23 used in paper I gives the increase of the ratio by a factor of 1.24.…”

Section: A Quasiparticle Self-energymentioning

confidence: 90%

“…In fact, the sum of the ladder diagrams is reduced to this interaction just as vertex corrections to the random phase approximation (RPA) polarizability can be reduced to the spin-symmetric local-field factor (see, e.g., Refs. 21,22,23,24,25). However, the point is that the interaction W is defined by an eightfold integral and as such is problematical to be realized in ab initio calculations for real systems.…”

Section: Introductionmentioning

confidence: 99%

Multiple electron-hole scattering effect on quasiparticle properties in a homogeneous electron gas

Nechaev

Chulkov

2006

Phys. Rev. B

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We present a detailed study of a contribution of the T matrix accounting for multiple scattering between an electron and a hole to the quasiparticle self-energy. This contribution is considered as an additional term to the GW self-energy. The study is based on a variational solution of the T -matrix integral equation within a local approximation. A key quantity of such a solution, the local electron-hole interaction, is obtained at the small four-momentum transfer limit. Performed by making use of this limit form, extensive calculations of quasiparticle properties in the homogeneous electron gas over a broad range of electron densities are reported. We carry out an analysis of how the T -matrix contribution affects the quasiparticle damping rate, the quasiparticle energy, the renormalization constant, and the effective mass enhancement. We find that in comparison with the GW approximation the inclusion of the T matrix leads to an essential increase of the damping rate, a slight reduction of the GW band narrowing, a decrease of the renormalization constant at the Fermi wave vector, and some "weighting" of quasiparticles at the Fermi surface.

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“…• The Na jellium clusters (r s = 3.93) set with magic electron numbers 2,8,18,20,34,40,58,92,and 106,used in Refs. 42,44, and 93.…”

Section: Local Band-gapmentioning

confidence: 99%

“…The jellium-with-gap model 29 , was developed outside the KS framework, using perturbation theory to take into account the band gap energy. This model was used to have qualitative and quantitative insight for semiconductors [30][31][32][33][34] , to develop an XC kernel for the optical properties of materials 35 , and to construct accurate correlation energy functionals for the ground-state DFT 29,[36][37][38][39][40] . We will show that the Lindhard function for the jellium-with-gap model (F GAP ), previously introduced by Levine and Louie 33 in a different context (dielectric constant and XC potential), may be seen as a sophisticated analytical form suitable for KE approximations.…”

Section: Introductionmentioning

confidence: 99%

Jellium-with-gap model applied to semilocal kinetic functionals

et al. 2017

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We investigate a highly-nonlocal generalization of the Lindhard function, given by the jellium-with-gap model. We find a band-gap-dependent gradient expansion of the kinetic energy, which performs noticeably well for large atoms. Using the static linear response theory and the simplest semilocal model for the local band gap, we derive a non-empirical generalized gradient approximation (GGA) of the kinetic energy. This GGA kinetic energy functional is remarkably accurate for the description of weakly interacting molecular systems within the subsystem formulation of Density Functional Theory.Comment: 9 pages, 2 figure

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Effect of coupling of forward- and backward-going electron-hole pairs on the static local-field factor of jellium

Cited by 9 publications

References 49 publications

Signatures of Short-Range Many-Body Effects in the Dielectric Function of Silicon for Finite Momentum Transfer

Signatures of Short-Range Many-Body Effects in the Dielectric Function of Silicon for Finite Momentum Transfer

Multiple electron-hole scattering effect on quasiparticle properties in a homogeneous electron gas

Jellium-with-gap model applied to semilocal kinetic functionals

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