Comment on "Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities" [J. Chem. Phys. 145, 021101 (2016)]
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.
- Publication:
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Journal of Chemical Physics
- Pub Date:
- October 2016
- DOI:
- arXiv:
- arXiv:1609.05408
- Bibcode:
- 2016JChPh.145o7101K
- Keywords:
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- Physics - Chemical Physics
- E-Print:
- The Journal of Chemical Physics, vol. 145, p.157101 (2016)