Ground-State Energy of a High-Density Electron Gas

Carr, W. J.; Maradudin, A. A.

doi:10.1103/physrev.133.a371

Cited by 223 publications

(57 citation statements)

References 9 publications

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“…Further, our energy results for full screening are virtually identical to the corresponding empirical results of Refs. [35][36][37][38][39] in the high-density region. [36]; the dashed line refers to the calculations of Ref.…”

Section: Resultsmentioning

confidence: 99%

“…[40]; the dashed-dotted curve is that of Refs. [37,38]; and the short dashed curve is that of Ref. [39].…”

Section: Resultsmentioning

confidence: 99%

“…[36] over the whole range of r s as well as those of Refs. [37,38] within r s ≤ 5, which correspond to typical metallic densities. This is to be expected, since the results of Refs.…”

Section: Resultsmentioning

confidence: 99%

“…This is to be expected, since the results of Refs. [36][37][38] are calculated at high density. For r s ≥ 5, we get a similar density--dependence behavior to that of Refs.…”

Section: Resultsmentioning

confidence: 99%

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A New Microscopic Calculation for the Uniform Electron Fluid

2011

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The static fluctuation approximation is applied for the first time to an electronic system. A simple model (a uniform electron fluid) is chosen to explore the applicability of static fluctuation approximation to electrons in metals. The thermodynamic properties -the internal energy per particle, the pressure, the entropy per unit volume, the heat capacity per unit volume, and the chemical potential -are calculated over a wide range of densities within the metallic-density region. Finally, the pair-correlation function for the electron fluid is evaluated. Values of this function are then tabulated for zero-interparticle separation at several densities of interest. The results of this work are found to be in good agreement with several other many-body calculations.

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Section: Resultsmentioning

confidence: 99%

“…[40]; the dashed-dotted curve is that of Refs. [37,38]; and the short dashed curve is that of Ref. [39].…”

Section: Resultsmentioning

confidence: 99%

“…[36] over the whole range of r s as well as those of Refs. [37,38] within r s ≤ 5, which correspond to typical metallic densities. This is to be expected, since the results of Refs.…”

Section: Resultsmentioning

confidence: 99%

“…This is to be expected, since the results of Refs. [36][37][38] are calculated at high density. For r s ≥ 5, we get a similar density--dependence behavior to that of Refs.…”

Section: Resultsmentioning

confidence: 99%

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A New Microscopic Calculation for the Uniform Electron Fluid

2011

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“…In the LDA, the correlation functional ε c [ρ(r)] is based on the infinite UEG (IUEG) paradigm [3,4] -a model built by allowing the number n of electrons in a volume V to approach infinity with ρ = n/V held constant -and analytically constructed [5][6][7][8] by combining accurate quantum Monte Carlo (QMC) calculations [9,10] and exact results from the high-density [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26] and low-density [27][28][29] limits.…”

Section: Introduction a Local-density Approximationmentioning

confidence: 99%

Generalized local-density approximation and one-dimensional finite uniform electron gases

Loos

2014

Phys. Rev. A

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We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional (1D) uniform electron gases (UEGs). The fundamental parameters of the GLDA -a generalization of the widely-known local-density approximation (LDA) used in density-functional theory (DFT) -are the electronic density ρ and a newly-defined two-electron local parameter called the hole curvature η. The UEGs considered in this study are finite versions of the conventional infinite homogeneous electron gas and consist of n electrons on an infinitely thin wire with periodic boundary conditions. We perform a comprehensive study of these finite UEGs at high, intermediate and low densities using perturbation theory and quantum Monte Carlo calculations. We show that the present GLDA functional yields accurate estimates of the correlation energy for both weakly and strongly correlated one-dimensional systems and can be easily generalized to higher-dimensional systems.

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Application of second-order density functional methods to the calculation of the BeFH potential energy surface

Aguado

Sanz

Paniagua

1997

Int. J. Quant. Chem.

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ABSTRACTŽ Second-order density functional methods where the correlation energy depends on the . second-order density matrix and on a density functional are used to introduce the Ž . electron correlation in two-configuration direct minimization TCDM ab initio electronic Ž . energy calculations of three-dimensional potential energy surfaces PES . We analyzed the behavior of these methods in PES calculations by applying them to the Be q FH reaction. This system was studied also by the usual techniques, allowing a full comparison for the lowest 1 A X adiabatic state. In particular, we compared the results obtained using the TCDM and multiple reference single and double excitations configuration interaction Ž . Ž . MRDCI methods with the corresponding results obtained using the Colle᎐Salvetti CS Ž . and Moscardo᎐San Fabian MSF procedures, within the correlation factor method, usinǵá s starting point the TCDM results. We found that the CS and MSF results are in a good overall agreement with the more accurate ab initio results, including the heights of the saddle points and the transition state.

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Ground-State Energy of a High-Density Electron Gas

Cited by 223 publications

References 9 publications

A New Microscopic Calculation for the Uniform Electron Fluid

A New Microscopic Calculation for the Uniform Electron Fluid

Generalized local-density approximation and one-dimensional finite uniform electron gases

Application of second-order density functional methods to the calculation of the BeFH potential energy surface

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