Momentum Distribution of the Uniform Electron Gas and Its Proper Parametrization

Ziesche, P.

doi:10.1002/1521-3951(200208)232:2<231::aid-pssb231>3.0.co;2-7

Cited by 15 publications

(25 citation statements)

References 39 publications

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“…32 In Ref. 30, the input data from Takada and Yasuhara (TY) 33,34 for n 0 (r s ), n ± (r s ) and t(r s ) at r s = 1, ..., 5 have been used, together with the on-top pair density g 0 (r s ) = g(0, r s ) [which determines the large-k behavior of n(k)] from Ref. 27.…”

Section: Qmc Data Of the Static Response;mentioning

confidence: 99%

Momentum distribution of the uniform electron gas: Improved parametrization and exact limits of the cumulant expansion

2002

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The momentum distribution of the unpolarized uniform electron gas in its Fermi-liquid regime, n(k, rs), with the momenta k measured in units of the Fermi wave number kF and with the density parameter rs, is constructed with the help of the convex Kulik function G(x). It is assumed that n(0, rs), n(1 ± , rs), the on-top pair density g(0, rs) and the kinetic energy t(rs) are known (respectively, from accurate calculations for rs = 1, ..., 5, from the solution of the Overhauser model, and from Quantum Monte Carlo calculations via the virial theorem). Information from the high-and the low-density limit, corresponding to the random-phase approximation and to the Wigner crystal limit, is used. The result is an accurate parametrization of n(k, rs), which fulfills most of the known exact constraints. It is in agreement with the effective-potential calculations of Takada and Yasuhara [Phys. Rev. B 44, 7879 (1991)], is compatible with Quantum Monte Carlo data, and is valid in the density range rs 12. The corresponding cumulant expansions of the pair density and of the static structure factor are discussed, and some exact limits are derived.

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Section: Qmc Data Of the Static Response;mentioning

confidence: 99%

Momentum distribution of the uniform electron gas: Improved parametrization and exact limits of the cumulant expansion

2002

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“…This approximation has to be replaced by thermal averaging when finite temperature systems are considered. A useful method would also be to read off the quasiparticle parameterization from current parameterizations of the momentum distribution 43,44 .…”

Section: A Compressibilitymentioning

confidence: 99%

Dynamical local field, compressibility, and frequency sum rules for quasiparticles

Morawetz

2002

Phys. Rev. B

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The finite temperature dynamical response function including the dynamical local field is derived within a quasiparticle picture for interacting one-, two-and three dimensional Fermi systems. The correlations are assumed to be given by a density dependent effective mass, quasiparticle energy shift and relaxation time. The latter one describes disorder or collisional effects. This parameterization of correlations includes local density functionals as a special case and is therefore applicable for density functional theories. With a single static local field, the third order frequency sum rule can be fulfilled simultaneously with the compressibility sum rule by relating the effective mass and quasiparticle energy shift to the structure function or pair correlation function. Consequently, solely local density functionals without taking into account effective masses cannot fulfill both sum rules simultaneously with a static local field. The comparison to the Monte-Carlo data seems to support such quasiparticle picture. 05.30.Fk,21.60.Ev, 24.30.Cz, 24.60.Ky

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“…This quantity is referred to as Löwdin parameter (because Löwdin has asked for the meaning of Trγ 2 [33]). It vanishes for idempotent occupancies and increases with increasing correlation induced non-idempotency [14,15,16,17]. Note that Eqs.…”

Section: Basic Notationmentioning

confidence: 99%

“…In the theory of reduced density matrices (RDMs) [6,7,8,9,10,11,12] and in the density matrix functional theory (DMFT) [9,13] the ψ κ (1) diagonalize the 1-body reduced density matrix (1-matrix) so that γ(1|1 ′ ) = κ ψ κ (1)ν κ ψ * κ (1 ′ ) holds, what is called spectral resolution. The ν κ are again non-idempotent as a consequence of the electron correlation phenomenon such that the non-idempotency of γ or ν κ can be used to measure the strength of correlation, ν 2 κ < ν κ , Trγ 2 < Trγ [14,15,16,17]. For crystalline solids the ν κ describe the occupation band structure.…”

Section: Introductionmentioning

confidence: 99%

Reduced density matrices, their spectral resolutions, and the Kimball-Overhauser approach

Ziesche

Tasnádi

2004

Ann. Phys.

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Recently, it has been shown, that the pair density of the homogeneous electron gas can be parametrized in terms of 2-body wave functions (geminals), which are scattering solutions of an effective 2-body Schrödinger equation. For the corresponding scattering phase shifts, new sum rules are reported in this paper. These sum rules describe not only the normalization of the pair density (similar to the Friedel sum rule of solid state theory), but also the contraction of the 2-body reduced density matrix. This allows one to calculate also the momentum distribution, provided that the geminals are known from an appropriate screening of the Coulomb repulsion.An analysis is presented leading from the definitions and (contraction and spectral) properties of reduced density matrices to the Kimball-Overhauser approach and its generalizations. Thereby cumulants are used. Their size-extensivity is related to the thermodynamic limit.

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Momentum Distribution of the Uniform Electron Gas and Its Proper Parametrization

Cited by 15 publications

References 39 publications

Momentum distribution of the uniform electron gas: Improved parametrization and exact limits of the cumulant expansion

Momentum distribution of the uniform electron gas: Improved parametrization and exact limits of the cumulant expansion

Dynamical local field, compressibility, and frequency sum rules for quasiparticles

Reduced density matrices, their spectral resolutions, and the Kimball-Overhauser approach

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