|Title:||Local Density Approximation for the Short-Range Exchange Free Energy Functional||Authors:||JENG-DA CHAI
|Issue Date:||26-Apr-2019||Journal Volume:||4||Journal Issue:||4||Source:||ACS Omega||Abstract:||
© 2019 American Chemical Society. 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.
|Appears in Collections:||物理學系|
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