High-density correlation energy expansion of the one-dimensional uniform electron gas

Pierre François Loos

doi:10.1063/1.4790613

High-density correlation energy expansion of the one-dimensional uniform electron gas

Pierre François Loos^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

24 Citations (Scopus)

Abstract

We show that the expression of the high-density (i.e., small-r_s) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form ε_c(r_s) = -π²/360 + 0.00845 r _s +⋯, where r_s is the average radius of an electron. Combining these new results with the low-density correlation energy expansion, we propose a local-density approximation correlation functional, which deviates by a maximum of 0.1 mhartree compared to the benchmark diffusion Monte Carlo calculations.

Original language	English
Article number	064108
Journal	Journal of Chemical Physics
Volume	138
Issue number	6
DOIs	https://doi.org/10.1063/1.4790613
Publication status	Published - 14 Feb 2013

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abstract = "We show that the expression of the high-density (i.e., small-rs) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form εc(rs) = -π2/360 + 0.00845 r s +⋯, where rs is the average radius of an electron. Combining these new results with the low-density correlation energy expansion, we propose a local-density approximation correlation functional, which deviates by a maximum of 0.1 mhartree compared to the benchmark diffusion Monte Carlo calculations.",

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AB - We show that the expression of the high-density (i.e., small-rs) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form εc(rs) = -π2/360 + 0.00845 r s +⋯, where rs is the average radius of an electron. Combining these new results with the low-density correlation energy expansion, we propose a local-density approximation correlation functional, which deviates by a maximum of 0.1 mhartree compared to the benchmark diffusion Monte Carlo calculations.

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JO - Journal of Chemical Physics

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High-density correlation energy expansion of the one-dimensional uniform electron gas

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