Correlation energy of a spin-polarized electron gas at high density

Hoffman, Gary G.

doi:10.1103/physrevb.45.8730

Cited by 29 publications

(27 citation statements)

References 7 publications

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“…Within perturbation theory integrals of energy denominators appear, e.g., the Macke momentum transfer function It has the properties 37, 40 with a and d of Eq. (3.24).…”

Section: Perturbation Theorymentioning

confidence: 94%

“…With the help of the virial theorem 35, 36 these energies t and v follow also from the r s dependence of e = t + v , the total energy per particle. In the high‐density or small‐ r s limit the ring diagram partial summation, also referred to as random‐phase approximation (RPA), is important for calculating e 37–40, n ( k ) 44–46, and g 3, 4. Respective calculations beyond the RPA were given in Refs.…”

Section: Introductionmentioning

confidence: 99%

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Cumulant 2‐matrix of the high‐density electron gas and the density matrix functional theory

Ziesche

2002

Int J of Quantum Chemistry

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The cumulant 2-matrix chi is that part of the two-body reduced density matrix gamma2, which cannot be reduced to products of the one-body reduced density matrix (1-matrix) gamma. This irreducible part chi is calculated perturbatively for the high-density electron gas (EG) in its ground state, such that the pair densities and the interaction energy are correctly reproduced in their high-density limits, which are exactly known and summarized here. From the thus available cumulant 2-matrix the pair density in momentum space can be derived and used for a fluctuation analysis and compared with the analog analysis in position space, where it is concluded that "correlation suppresses fluctuations". The perturbatively available cumulant 2-matrix chi can be used also for the high-density electron gas to start the iterative solution of the Yasuda integral equation of density matrix functional theory (DMFT), which is a nonlinear functional relation between the cumulant 2-matrix chi and the 1-matrix gamma recently derived from the contracted Schrodinger equation approach: chi(gamma)[gamma]. From the perturbatively determined chi one can find another functional chi[gamma] as an alternative approximation for a DMFT. (C) 2002 Wiley Periodicals, Inc

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“…Within perturbation theory integrals of energy denominators appear, e.g., the Macke momentum transfer function It has the properties 37, 40 with a and d of Eq. (3.24).…”

Section: Perturbation Theorymentioning

confidence: 94%

Section: Introductionmentioning

confidence: 99%

Cumulant 2‐matrix of the high‐density electron gas and the density matrix functional theory

Ziesche

2002

Int J of Quantum Chemistry

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“…The high‐density correlation energy expansions

e_{c}^{normalF normalF} ((),, r_{s}, ζ) = e ((),, r_{s}, ζ) - e_{normalH normalF}^{normalF normalF} ((),, r_{s}, ζ)

of the two‐ and three‐dimensional UEGs have been well studied . Much less is known about 1‐jellium .…”

Section: The High‐density Regimementioning

confidence: 99%

The uniform electron gas

Loos

Gill

2016

WIREs Comput Mol Sci

145

111

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The uniform electron gas or UEG (also known as jellium) is one of the most fundamental models in condensed-matter physics and the cornerstone of the most popular approximation-the local-density approximation-within densityfunctional theory. In this article, we provide a detailed review on the energetics of the UEG at high, intermediate, and low densities, and in one, two, and three dimensions. We also report the best quantum Monte Carlo and symmetrybroken Hartree-Fock calculations available in the literature for the UEG and discuss the phase diagrams of jellium.

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“…In Table III 28 We note that the fit parameters are strongly sensitive to the energies interpolated, and deviate in a progressive way from the RPA from the other approaches, as indicated in Table III. Similarly, we remark that the magnitude of the correlation energy becomes systematically smaller as we pass from the RPA to the MCGF, and from that to the present theory.…”

Section: Spin Polarization and Analytical Expressions For The Elementioning

confidence: 92%

Local-field correction for the ferromagnetic electron gas

Brito

1998

Phys. Rev. B

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A simple model for the local-field correction of a ferromagnetic electron gas is proposed and parametrized by using known constraints of this system. From these constraints, it is shown that the ferromagnetic local-field correction has a local maximum where it exceeds unity, which leads to the possibility of important effects. Useful parameters for practical applications and results for the ground-state properties are obtained and discussed in the full range of densities.

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Correlation energy of a spin-polarized electron gas at high density

Cited by 29 publications

References 7 publications

Cumulant 2‐matrix of the high‐density electron gas and the density matrix functional theory

Cumulant 2‐matrix of the high‐density electron gas and the density matrix functional theory

The uniform electron gas

Local-field correction for the ferromagnetic electron gas

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