Please use this identifier to cite or link to this item: https://doi.org/10.1021/acsomega.9b00303
Title: Local Density Approximation for the Short-Range Exchange Free Energy Functional
Authors: Xuan, F. 
Chai, J.-D.
Su, H.
Issue Date: 2019
Publisher: American Chemical Society
Citation: Xuan, F., Chai, J.-D., Su, H. (2019). Local Density Approximation for the Short-Range Exchange Free Energy Functional. ACS Omega 4 (4) : 7675-7683. ScholarBank@NUS Repository. https://doi.org/10.1021/acsomega.9b00303
Rights: Attribution-NonCommercial-NoDerivatives 4.0 International
Abstract: Analytical expressions for the exchange free energy per particle of the uniform electron gas (UEG) associated with the short-range (SR) interelectronic interaction at the low- and high-temperature limits are examined, yielding an accurate analytical parametrization for the SR exchange free energy per particle of the UEG as a function of the uniform electron density, temperature, and range-separation parameter. This parametrization constitutes the local density approximation for the SR exchange free energy functional, which can be the first step toward finding generally accurate range-separated hybrid functionals in both finite-temperature density functional theory and thermally assisted-occupation density functional theory. © 2019 American Chemical Society.
Source Title: ACS Omega
URI: https://scholarbank.nus.edu.sg/handle/10635/212310
ISSN: 24701343
DOI: 10.1021/acsomega.9b00303
Rights: Attribution-NonCommercial-NoDerivatives 4.0 International
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