Article ID Journal Published Year Pages File Type
5418660 Journal of Molecular Structure: THEOCHEM 2006 7 Pages PDF
Abstract
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≤rs≤20. The bias in the literature benchmarks for the spin components of the correlation energy is discussed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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