Local Density Approximation for the Short-Range Exchange Free Energy Functional
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Published on: November 11, 2025
Fengyuan Xuan1, Jeng-Da Chai2,2,2, Haibin Su3
1Centre for Advanced 2D Materials, National University of Singapore, Block S16, Level 6, 6 Science Drive 2, Singapore 117546, Singapore.
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.
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