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Simple analytic form of the correlation energy of the uniform electron gas

期刊

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 762, 期 1-3, 页码 139-145

出版社

ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2005.07.033

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density functional theory; correlation energy; electron gas

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A new correlation functional derived recently within the Kohn-Sham density functional theory is used to obtain a compact analytic representation of the correlation energy of the uniform electron gas. For spin-compensated electron gas the obtained results have mean absolute percentage deviation of 0.38% from the best literature estimates in the density range 0.1 <= r(s) <= 20.The bias in the literature benchmarks for the spin components of the correlation energy is discussed. (c) 2005 Elsevier B.V. All rights reserved.

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