4.6 Article

Local density functional for the short-range part of the electron-electron interaction

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PHYSICAL REVIEW B
卷 70, 期 20, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.70.205127

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Motivated by recent suggestions-to split the electron-electron interaction into a short-range part, to be treated within the density functional theory, and a long-range part, to be handled by other techniques-we compute, with a diffusion Monte Carlo method, the ground-state energy of a uniform electron gas with a modified, short-range-only electron-electron interaction erfc(mur)/r, for different values of the cutoff parameter mu and of the electron density. After deriving some exact limits, we propose an analytic representation of the correlation energy which accurately fits our Monte Carlo data and also includes, by construction, these exact limits, thus providing a reliable short-range local-density functional.

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