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arXiv · 1609.05408

Comment on "Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities" [J. Chem. Phys. 145, 021101 (2016)]

Valentin V. Karasiev
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Abstract

A simple expression for the uniform electron gas (UEG) correlation energy, recently presented in Ref. [J. Chem. Phys. 145, 021101 (2016)], deviates from the reference quantum Monte-Carlo (QMC) data at large r_s. We propose to define one of the parameters from a requirement to match the large-rs QMC data. Functional with the new parameter provides much better agreement with the QMC data at large r_s without deterioration of the functional quality at small and intermediate r_s.

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Valentin V. Karasiev. 2016-10-06. Comment on "Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities" [J. Chem. Phys. 145, 021101 (2016)]. https://doi.org/10.1063/1.4964758

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